Geometry & MOs

Info

ID:	50870
PubChem CID:	12013459
Reduced:	BNPC28H29 (1)
Stoich.:	ABCD28E29 (1)
Weight, g/mol:	507.08103
ΔH_f, kcal/mol:	142.23
Dipole, Da:	2.35
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,4R)-4-[bis(benzenesulfonyl)methyl]cyclopent-2-en-1-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

B.CC(C1C=CC(C=C1)(CC2=CC=CC=C2)C#N)P(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations