Geometry & MOs

Info

ID:	35273
PubChem CID:	7979610
Reduced:	SN3O6C19H27 (1)
Stoich.:	AB3C6D19E27 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-244.9
Dipole, Da:	3.77
IP(EA), eV:	-9.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1)OC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)C

DOS

IR

Vibrations