Geometry & MOs

Info

ID:	244160
PubChem CID:	99319130
Reduced:	F2O2N6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	424.134697
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	7.75
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[(2,4-difluorobenzoyl)amino]ethylcarbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations