Geometry & MOs

Info

ID:	273434
PubChem CID:	103771114
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	287.074678
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	9.36
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(S1)NC(=O)C2CC2)O

DOS

IR

Vibrations