Geometry & MOs

Info

ID:	59194
PubChem CID:	24775713
Reduced:	F2N2O3H18C22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	396.128549
ΔH_f, kcal/mol:	-151.91
Dipole, Da:	8.73
IP(EA), eV:	-9.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[6-[(2,6-difluorobenzoyl)amino]pyridin-3-yl]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)C)C2=NC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations