Geometry & MOs

Info

ID:	244184
PubChem CID:	99319265
Reduced:	FNO2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	351.085304
ΔH_f, kcal/mol:	-181.5
Dipole, Da:	2.52
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2-methylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations