Geometry & MOs

Info

ID:	187083
PubChem CID:	77529773
Reduced:	N4H8C11 (1)
Stoich.:	A4B8C11 (1)
Weight, g/mol:	457.118668
ΔH_f, kcal/mol:	176.16
Dipole, Da:	1.78
IP(EA), eV:	-9.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

Drug info:

PubChemData

Smile

C1=CC2=CC3=NNN=C3C=C2C=CN=C1

DOS

IR

Vibrations