Geometry & MOs

Info

ID:

39887

PubChem CID:

8142753

Reduced:

O2N3C22H30 (1)

Stoich.:

A2B3C22D30 (1)

Weight, g/mol:

417.208613

ΔHf, kcal/mol:

-43.34

Dipole, Da:

5.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772442

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C

DOS

IR

Vibrations