Geometry & MOs

Info

ID:	307242
PubChem CID:	125292699
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	2.67
IP(EA), eV:	-8.77(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9R,10R,13S,14R,17S)-17-acetyl-2,6,10,13-tetramethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CC1)C(=C(OC3=C2[C@@H](N=N3)CSC4=CC=C(C=C4)C)N)C#N

DOS

IR

Vibrations