Geometry & MOs

Info

ID:	133555
PubChem CID:	51547903
Reduced:	ClSN3O4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107146
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC=CC=C3Cl

DOS

IR

Vibrations