Geometry & MOs

Info

ID:	63936
PubChem CID:	26759504
Reduced:	NSO2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	492.150112
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	3.18
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC)C

DOS

IR

Vibrations