Geometry & MOs

Info

ID:	329277
PubChem CID:	126733856
Reduced:	BrSN2O3F5H14C15 (1)
Stoich.:	ABC2D3E5F14G15 (1)
Weight, g/mol:	414.16158
ΔH_f, kcal/mol:	-320.25
Dipole, Da:	7.74
IP(EA), eV:	-9.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C(CC[C@@](CF)(C1=C(C=CC(=C1)Br)F)NC(=O)C(F)(F)F)C#N

DOS

IR

Vibrations