Geometry & MOs

Info

ID:	26525
PubChem CID:	650970
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-172.16
Dipole, Da:	8.73
IP(EA), eV:	-9.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CS(=O)CC(=O)NCC2CCCO2)C

DOS

IR

Vibrations