Geometry & MOs

Info

ID:	174874
PubChem CID:	75825820
Reduced:	O2N4C6H11 (1)
Stoich.:	A2B4C6D11 (1)
Weight, g/mol:	372.065417
ΔH_f, kcal/mol:	30.81
Dipole, Da:	6.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761969
Charge, e:	-1

Chem-info

IUPAC name:

[3-cyano-4-(2-nitrophenyl)-6-oxo-2-prop-2-enylsulfanyl-3,4-dihydropyridin-5-ylidene]-methoxymethanolate

Drug info:

PubChemData

Smile

CCNC1=[N+](C=NC1[N+](=O)[O-])C

DOS

IR

Vibrations