Geometry & MOs

Info

ID:	59193
PubChem CID:	24775712
Reduced:	ClOSF2N3H12C21 (1)
Stoich.:	ABCD2E3F12G21 (1)
Weight, g/mol:	396.128549
ΔH_f, kcal/mol:	-20.62
Dipole, Da:	6.29
IP(EA), eV:	-9.03(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-[(2,6-difluorobenzoyl)amino]pyridin-2-yl]-4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NC2=CN=C(C=C2)C3=C(C=CC(=C3)C4=NC=CS4)Cl)F

DOS

IR

Vibrations