Geometry & MOs

Info

ID:	61486
PubChem CID:	26709867
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	481.094371
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	5.54
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC=C2N3CCCC3=O

DOS

IR

Vibrations