Geometry & MOs

Info

ID:	31362
PubChem CID:	855622
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-27.78
Dipole, Da:	5.06
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NN=C(N1C)COC2=CC=CC(=C2)C

DOS

IR

Vibrations