Geometry & MOs

Info

ID:	60050
PubChem CID:	26675377
Reduced:	ClSO2N3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	468.17238
ΔH_f, kcal/mol:	10.8
Dipole, Da:	7.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.009212
Charge, e:	1

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)methyl-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations