Geometry & MOs

Info

ID:	31250
PubChem CID:	855347
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	14.24
Dipole, Da:	6.82
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-ethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3)C

DOS

IR

Vibrations