Geometry & MOs

Info

ID:	326800
PubChem CID:	126688220
Reduced:	SN2O4C30H38 (1)
Stoich.:	AB2C4D30E38 (1)
Weight, g/mol:	360.134617
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	4.0
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-fluoro-2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrimidin-4-yl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC[C@H]2C3C4CCC5=CC(=C(C=C5C4CC[C@@]3(C(=O)C2=CO)C)C(C)(C)C)O

DOS

IR

Vibrations