Geometry & MOs

Info

ID:	62459
PubChem CID:	26719742
Reduced:	ClSN4O5H19C23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	498.076469
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	6.42
IP(EA), eV:	-8.9(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)NC3=CC(=CC=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations