Geometry & MOs

Info

ID:	146788
PubChem CID:	53750341
Reduced:	O3N6C28H38 (1)
Stoich.:	A3B6C28D38 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	1.89
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13R,14S,17S)-17-(2-hydroxyacetyl)-10-methyl-3-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-13-carbaldehyde

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(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)N(C)N(C)C)N

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(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)N(C)N(C)C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):