Geometry & MOs

Info

ID:	146711
PubChem CID:	53733576
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	420.132136
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	3.06
IP(EA), eV:	-9.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(5-nitro-2-phenylmethoxyphenyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1([C@@H]2C1[C@H]([C@@H](C2)NS(=O)(=O)C3=CC=CC=C3)CCO)C

DOS

IR

Vibrations