Geometry & MOs

Info

ID:	30102
PubChem CID:	839973
Reduced:	SO2N4H10C11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	6.96
Dipole, Da:	8.32
IP(EA), eV:	-8.7(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=NNC(=S)N)O2)C(=O)N

DOS

IR

Vibrations