Geometry & MOs

Info

ID:	273627
PubChem CID:	103771516
Reduced:	NSCl2O2C14H19 (1)
Stoich.:	ABC2D2E14F19 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-106.99
Dipole, Da:	4.3
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSC1=C(C=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations