Geometry & MOs

Info

ID:	173537
PubChem CID:	75649311
Reduced:	O3N5C21H40 (1)
Stoich.:	A3B5C21D40 (1)
Weight, g/mol:	495.99444
ΔH_f, kcal/mol:	-157.36
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761017
Charge, e:	-1

Chem-info

IUPAC name:

[5-(5-bromopyridin-2-yl)imino-2-(4-fluorophenyl)-4-oxooxolan-3-ylidene]-(4-nitrophenyl)methanolate

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C[NH+](C)C2CCCCC2

DOS

IR

Vibrations