Geometry & MOs

Info

ID:	31365
PubChem CID:	855625
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-16.86
Dipole, Da:	6.11
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC

DOS

IR

Vibrations