Geometry & MOs

Info

ID:	323861
PubChem CID:	126676365
Reduced:	ClS2F3N4H18C23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	371.16452
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	6.57
IP(EA), eV:	-8.7(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)Cl)C3=C(C(=CC=C3)NSC4=C(C=CC=C4F)F)F

DOS

IR

Vibrations