Geometry & MOs

Info

ID:	227236
PubChem CID:	87560758
Reduced:	ClFO4N5C30H33 (1)
Stoich.:	ABC4D5E30F33 (1)
Weight, g/mol:	332.94035
ΔH_f, kcal/mol:	-108.7
Dipole, Da:	3.52
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-bromo-2-chloropyridine-3-carbonyl)-3-ethoxyprop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CCO/N=C/1\CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations