Geometry & MOs

Info

ID:	41945
PubChem CID:	8147890
Reduced:	SN2O4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	393.99645
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	6.51
IP(EA), eV:	-9.24(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])/C=C/C2=CC=C(S2)C

DOS

IR

Vibrations