Geometry & MOs

Info

ID:	84104
PubChem CID:	49864191
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	449.32938
ΔH_f, kcal/mol:	-83.23
Dipole, Da:	5.99
IP(EA), eV:	-9.19(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-17-[5-(2-methylpropanoyl)-1H-pyrrol-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCN2C(=O)C3=CC=CC=C3C2=O)C)Cl

DOS

IR

Vibrations