Geometry & MOs

Info

ID:	167649
PubChem CID:	74852472
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	4.32
IP(EA), eV:	-8.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)NC(C)C2=CC=CS2)OCC

DOS

IR

Vibrations