Geometry & MOs

Info

ID:	25191
PubChem CID:	620924
Reduced:	N4O4C29H46 (1)
Stoich.:	A4B4C29D46 (1)
Weight, g/mol:	376.26136
ΔH_f, kcal/mol:	-180.1
Dipole, Da:	10.13
IP(EA), eV:	-8.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)OCC)NC(=O)C(C(C)C)N=CC=CC1=CC=C(C=C1)N(CC)CC

DOS

IR

Vibrations