Geometry & MOs

Info

ID:	139336
PubChem CID:	52511811
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	368.104202
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	1.28
IP(EA), eV:	-8.35(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-amino-5-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C1=CC=CS1)NC(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations