Geometry & MOs

Info

ID:	394091
PubChem CID:	135022313
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	531.215806
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	2.96
IP(EA), eV:	-8.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-3,3-dicyano-1'-[(4-methoxyphenyl)methyl]-2'-oxo-5-phenylspiro[cyclopentene-4,3'-indole]-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/2\COCC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations