Geometry & MOs

Info

ID:	65076
PubChem CID:	29204433
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	2.1
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-3-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C2=C(ON=C2C)C(C)C

DOS

IR

Vibrations