Geometry & MOs

Info

ID:	31364
PubChem CID:	855624
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-42.1
Dipole, Da:	5.98
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[[4-methyl-5-[(2-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(C)(C)C

DOS

IR

Vibrations