Geometry & MOs

Info

ID:	54657
PubChem CID:	17389054
Reduced:	SN2O4H26C31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.48
IP(EA), eV:	-8.79(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(4-ethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=NCC4=CC=CC=C4)S3)CC5=CC=CC=C5

DOS

IR

Vibrations