Geometry & MOs

Info

ID:	329280
PubChem CID:	126733890
Reduced:	O2F3N6H19C20 (1)
Stoich.:	A2B3C6D19E20 (1)
Weight, g/mol:	432.152158
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	3.95
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,5R)-6-amino-5-cyano-2-(difluoromethyl)-5-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@](N=C1N)(C2=C(C=CC(=C2)NC(=O)C3=CN=C(C=N3)OC)F)C(F)F)C#N

DOS

IR

Vibrations