Geometry & MOs

Info

ID:	200423
PubChem CID:	79386962
Reduced:	NSO3C7H17 (1)
Stoich.:	ABC3D7E17 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	5.91
IP(EA), eV:	-9.26(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)CC(C)(C)O

DOS

IR

Vibrations