Geometry & MOs

Info

ID:	139750
PubChem CID:	52589405
Reduced:	FIO2N3H13C19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	429.064697
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	4.15
IP(EA), eV:	-8.98(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)F)I)NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations