Geometry & MOs

Info

ID:	301858
PubChem CID:	123098321
Reduced:	BrNSO3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	3.61
IP(EA), eV:	-8.77(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-3-enylsulfinyl-N-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations