Geometry & MOs

Info

ID:	218126
PubChem CID:	85088915
Reduced:	NS2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	431.321956
ΔH_f, kcal/mol:	-101.91
Dipole, Da:	1.67
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(aziridin-2-yl)-17-[tert-butyl(dimethyl)silyl]oxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

COC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)CSCC2=CC=CC=C2

DOS

IR

Vibrations