Geometry & MOs

Info

ID:	31249
PubChem CID:	855345
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	19.5
Dipole, Da:	5.81
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CC=CO3

DOS

IR

Vibrations