Geometry & MOs

Info

ID:	37335
PubChem CID:	8019850
Reduced:	NO7C21H27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	410.098352
ΔH_f, kcal/mol:	-230.66
Dipole, Da:	6.15
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations