Geometry & MOs

Info

ID:	132872
PubChem CID:	51436268
Reduced:	SN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	369.099252
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.238474
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(5-chloro-2-methylphenyl)-7-(furan-2-yl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)[O-]

DOS

IR

Vibrations