Geometry & MOs

Info

ID:	307205
PubChem CID:	125276260
Reduced:	SO3N4H18C24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	675.377118
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	5.73
IP(EA), eV:	-9.28(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(8R,9R,10R,13S,14R,17S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethylamino]-4-oxobutanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H](CC(=O)C2=C1NC3=NC(=O)NC(=O)[C@H]3[C@@H]2C4=CC=NC5=CC=CC=C45)C6=CC=CS6

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H](CC(=O)C2=C1NC3=NC(=O)NC(=O)[C@H]3[C@@H]2C4=CC=NC5=CC=CC=C45)C6=CC=CS6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):