Geometry & MOs

Info

ID:	133891
PubChem CID:	51609498
Reduced:	IN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	404.092969
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	2.25
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations