Geometry & MOs

Info

ID:	273305
PubChem CID:	103770862
Reduced:	NSO2C9H19 (1)
Stoich.:	ABC2D9E19 (1)
Weight, g/mol:	315.123736
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	1.45
IP(EA), eV:	-9.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-hydroxy-4-methylpentyl)-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSC)O

DOS

IR

Vibrations