Geometry & MOs

Info

ID:	405379
PubChem CID:	135073709
Reduced:	NSO3H21C27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	363.121906
ΔH_f, kcal/mol:	41.04
Dipole, Da:	6.61
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(4-cyanophenyl)-(pyridine-2-carbonylamino)methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)/C(=C/C#CC2=CC=CC=C2C)/C#CC3=CC=CC=C3

DOS

IR

Vibrations