Geometry & MOs

Info

ID:	126864
PubChem CID:	50982656
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	2.61
IP(EA), eV:	-8.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CC(=O)N2CC3=CC=CC=C3C2)OC

DOS

IR

Vibrations