Geometry & MOs

Info

ID:	266780
PubChem CID:	103579389
Reduced:	NOSBr2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	52.44
Dipole, Da:	3.71
IP(EA), eV:	-9.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methyl-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(SC(=C1)Br)Br

DOS

IR

Vibrations