Geometry & MOs

Info

ID:	46530
PubChem CID:	10525043
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	3.25
IP(EA), eV:	-8.94(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] hexanoate

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

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[C@@]2([C@@H]3C=CO[C@@H]3O2)C(=O)OC)C(C)(C)C

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

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[C@@]2([C@@H]3C=CO[C@@H]3O2)C(=O)OC)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):