Geometry & MOs

Info

ID:	299090
PubChem CID:	117670940
Reduced:	SO3N6C25H30 (1)
Stoich.:	AB3C6D25E30 (1)
Weight, g/mol:	399.180758
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	7.17
IP(EA), eV:	-8.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[6-(2-methylpyrazol-3-yl)pyridin-3-yl]amino]-N-(6-pyridin-3-ylpyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC=C3NC

DOS

IR

Vibrations