Geometry & MOs

Info

ID:	31248
PubChem CID:	855343
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	14.22
Dipole, Da:	7.53
IP(EA), eV:	-8.93(-0.81)
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]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations