Geometry & MOs

Info

ID:	301874
PubChem CID:	123098950
Reduced:	BrNSO3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	5.03
IP(EA), eV:	-8.42(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanopropylsulfinyl)-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations