Geometry & MOs

Info

ID:	31363
PubChem CID:	855623
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	5.41
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC

DOS

IR

Vibrations