Geometry & MOs

Info

ID:	169009
PubChem CID:	75054352
Reduced:	O2F4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	451.0379
ΔH_f, kcal/mol:	-259.0
Dipole, Da:	2.18
IP(EA), eV:	-9.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-3-oxo-2-[3-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]pyridin-1-ium-1-yl]propanoic acid;bromide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1O)(C)C)C=CC(=O)C=CC2=CC(=CC(=C2)F)C(F)(F)F

DOS

IR

Vibrations