Geometry & MOs

Info

ID:	31326
PubChem CID:	855578
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	4.33
IP(EA), eV:	-8.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-hydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)N3CCCCC3

DOS

IR

Vibrations