Geometry & MOs

Info

ID:	143907
PubChem CID:	53279963
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	7.0
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC(C(C)C)C(C)C

DOS

IR

Vibrations