Geometry & MOs

Info

ID:	215027
PubChem CID:	85084024
Reduced:	NO2C9H14 (4)
Stoich.:	AB2C9D14 (4)
Weight, g/mol:	672.43899
ΔH_f, kcal/mol:	-418.87
Dipole, Da:	1.96
IP(EA), eV:	-9.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) pentanedioate

Drug info:

PubChemData

Smile

CC1CC(OC1=O)C(CC2CCCCC2)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations