Geometry & MOs

Info

ID:	336621
PubChem CID:	127255628
Reduced:	ClPN2O5C16H20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	359.226057
ΔH_f, kcal/mol:	-280.52
Dipole, Da:	4.95
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-fluoro-6-[3-[(1R)-1-hydroxyethyl]-2,6-di(propan-2-yl)-5-propyl-1H-pyridin-4-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CC(=C2)CP(=O)(O)O)C[C@@H](C(=O)[O-])N)Cl.[NH4+]

DOS

IR

Vibrations