Geometry & MOs

Info

ID:	282915
PubChem CID:	103945611
Reduced:	ClNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-100.62
Dipole, Da:	3.45
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethylphenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=C(C=CC(=C1)SC)Cl

DOS

IR

Vibrations