Geometry & MOs

Info

ID:

214338

PubChem CID:

84975208

Reduced:

BrO2N3C15H21 (1)

Stoich.:

AB2C3D15E21 (1)

Weight, g/mol:

358.135114

ΔHf, kcal/mol:

-64.15

Dipole, Da:

5.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755775

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N)Br

DOS

IR

Vibrations