Geometry & MOs

Info

ID:	156417
PubChem CID:	56370520
Reduced:	O3S3N4C17H24 (1)
Stoich.:	A3B3C4D17E24 (1)
Weight, g/mol:	416.01678
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	7.76
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-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)N(CC2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations