Geometry & MOs

Info

ID:	31247
PubChem CID:	855342
Reduced:	SO2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	20.83
Dipole, Da:	6.35
IP(EA), eV:	-8.91(-0.87)
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]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations