Geometry & MOs

Info

ID:	273229
PubChem CID:	103770730
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	301.090328
ΔH_f, kcal/mol:	-115.68
Dipole, Da:	4.78
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC)O

DOS

IR

Vibrations