Geometry & MOs

Info

ID:	57397
PubChem CID:	22395827
Reduced:	SCl2N3O6C24H29 (1)
Stoich.:	AB2C3D6E24F29 (1)
Weight, g/mol:	520.1264
ΔH_f, kcal/mol:	-242.28
Dipole, Da:	8.15
IP(EA), eV:	-8.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4-dinitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CC(CN2)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations