Geometry & MOs

Info

ID:	273626
PubChem CID:	103771508
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	335.051355
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	2.99
IP(EA), eV:	-9.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dichlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(N=CC=C1)Br)O

DOS

IR

Vibrations