Geometry & MOs

Info

ID:	195200
PubChem CID:	78653728
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	1.74
IP(EA), eV:	-9.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(4-methoxyphenyl)-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)SC(C)C(=O)NC3=CC=CC=C3C(=O)C

DOS

IR

Vibrations