Geometry & MOs

Info

ID:	430054
PubChem CID:	135170111
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	66.61
Dipole, Da:	4.37
IP(EA), eV:	-8.22(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-5-amino-2-ethenyl-N-[(4-ethylsulfanylphenyl)methyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N/C1=C/N=C3C4=C(C=CC3=O)N=CC=C4)C

DOS

IR

Vibrations