Geometry & MOs

Info

ID:	162312
PubChem CID:	57394263
Reduced:	ClSO4N5H22C27 (1)
Stoich.:	ABC4D5E22F27 (1)
Weight, g/mol:	563.103018
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	3.12
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NC(=O)C2=C(C3=C(N2CC4=CC(=NC=C4)N)C=CC(=C3)Cl)C5=CC=CNC5=O

DOS

IR

Vibrations