Geometry & MOs

Info

ID:	276006
PubChem CID:	103819876
Reduced:	O3N5C7H11 (1)
Stoich.:	A3B5C7D11 (1)
Weight, g/mol:	384.9959
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	2.4
IP(EA), eV:	-10.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=NNN=C1C(=O)NCCOCC(=O)N

DOS

IR

Vibrations