Geometry & MOs

Info

ID:	199205
PubChem CID:	79215284
Reduced:	BrSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	6.13
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-2-methylpropyl)-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(=O)C2=CC=C(C=C2)SC)OC

DOS

IR

Vibrations