Geometry & MOs

Info

ID:	146025
PubChem CID:	53624662
Reduced:	F2O2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	367.105587
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	3.2
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=NC=C2)F

DOS

IR

Vibrations