Geometry & MOs

Info

ID:	33435
PubChem CID:	7886462
Reduced:	OS3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	362.067132
ΔH_f, kcal/mol:	59.42
Dipole, Da:	5.18
IP(EA), eV:	-8.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCCNC(=O)CSC2=NNC(=N2)C3=CC=CS3

DOS

IR

Vibrations