Geometry & MOs

Info

ID:	223658
PubChem CID:	85335380
Reduced:	ClN2O8H21C22 (1)
Stoich.:	AB2C8D21E22 (1)
Weight, g/mol:	476.128504
ΔH_f, kcal/mol:	-304.2
Dipole, Da:	5.34
IP(EA), eV:	-9.89(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1C2CC3CC(=O)C(C(=O)C3(C(=O)C2C(=O)C4=C1C(=C(C=C4O)Cl)NC(=O)C)O)C(=O)N

DOS

IR

Vibrations