Geometry & MOs

Info

ID:	177124
PubChem CID:	76137055
Reduced:	SN3O5C21H31 (1)
Stoich.:	AB3C5D21E31 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-206.25
Dipole, Da:	2.02
IP(EA), eV:	-8.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-6-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CCN(CC)CCCCC(C(=O)O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

DOS

IR

Vibrations