Geometry & MOs

Info

ID:	57978
PubChem CID:	24398100
Reduced:	SCl2N2O4C19H20 (1)
Stoich.:	AB2C2D4E19F20 (1)
Weight, g/mol:	460.041519
ΔH_f, kcal/mol:	-138.05
Dipole, Da:	3.2
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations