Geometry & MOs

Info

ID:	43317
PubChem CID:	10321115
Reduced:	FO3N4H19C25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	442.073576
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	6.76
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6E)-3-cyano-4-(3-nitrophenyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=N1)C(=O)C2=C3C=CC=NC3=C(C4=C2CN(C4=O)CC5=CC=C(C=C5)F)O

DOS

IR

Vibrations