Geometry & MOs

Info

ID:	126634
PubChem CID:	50970965
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	341.06009
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	6.36
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-chlorophenyl)-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CN(C)C(=O)C3=CC=C(O3)CSC

DOS

IR

Vibrations