Geometry & MOs

Info

ID:	242955
PubChem CID:	99214455
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	7.23
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5-cyano-2-ethoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N[C@H]3CCCC[C@H]3C

DOS

IR

Vibrations