Geometry & MOs

Info

ID:	188807
PubChem CID:	77769775
Reduced:	N3O5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	498.058711
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	8.24
IP(EA), eV:	-9.96(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[chloro(isoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-5-pyridin-4-ylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC(C(=O)O)NCCC(C)CC(=O)NCC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations