Geometry & MOs

Info

ID:	273261
PubChem CID:	103770785
Reduced:	SN2O2C10H18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	285.154035
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	3.41
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSCC#N)O

DOS

IR

Vibrations