Geometry & MOs

Info

ID:	188387
PubChem CID:	77708183
Reduced:	O2N8C27H38 (1)
Stoich.:	A2B8C27D38 (1)
Weight, g/mol:	495.048954
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	7.81
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CNNC1C(C(=O)NCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)NCC4=CC=C(C=C4)C(=N)N

DOS

IR

Vibrations