Geometry & MOs

Info

ID:	297133
PubChem CID:	117609974
Reduced:	SO4N5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	505.173702
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	6.0
IP(EA), eV:	-8.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-difluoroethyl)-N-[5-[6-(difluoromethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC4=C(C(=C3)N5CCOCC5)N=CN4

DOS

IR

Vibrations