Geometry & MOs

Info

ID:	177165
PubChem CID:	76142763
Reduced:	SN4O7C22H22 (1)
Stoich.:	AB4C7D22E22 (1)
Weight, g/mol:	495.101955
ΔH_f, kcal/mol:	-214.84
Dipole, Da:	7.68
IP(EA), eV:	-9.47(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-1-methoxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4C=NC=CC4=O)C(=O)O)C

DOS

IR

Vibrations