Geometry & MOs

Info

ID:	31606
PubChem CID:	855927
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	344.074325
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CSC2=NN=C(O2)C3=CC=CC=C3O

DOS

IR

Vibrations