Geometry & MOs

Info

ID:	83663
PubChem CID:	49859735
Reduced:	FPC5O7H8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	466.204114
ΔH_f, kcal/mol:	-392.83
Dipole, Da:	4.71
IP(EA), eV:	-11.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2H-pyrazin-1-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C([C@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)F

DOS

IR

Vibrations