Geometry & MOs

Info

ID:	36363
PubChem CID:	8002393
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	400.043061
ΔH_f, kcal/mol:	75.09
Dipole, Da:	2.86
IP(EA), eV:	-8.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\N2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43)OC

DOS

IR

Vibrations