Geometry & MOs

Info

ID:	156359
PubChem CID:	56370268
Reduced:	S2O3N5C18H25 (1)
Stoich.:	A2B3C5D18E25 (1)
Weight, g/mol:	425.155532
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	11.3
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations