Geometry & MOs

Info

ID:	401272
PubChem CID:	135050755
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	293.047027
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	6.37
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(Z)-[cyano-(4-nitrophenyl)methylidene]amino]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=C([N+](=C(O1)/C=C/C2=CC=CC=C2)O)C(=O)C.[Cl-]

DOS

IR

Vibrations