Geometry & MOs

Info

ID:	54346
PubChem CID:	17069102
Reduced:	FNBr2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	456.106984
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	3.65
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E)-5-methyl-3-(3H-[1,3]oxazolo[4,5-b]pyridin-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-(2-nitrophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=C(C=C1Br)Br)F)OC2=CC=CC(=C2C)C

DOS

IR

Vibrations