Geometry & MOs

Info

ID:	136672
PubChem CID:	52083403
Reduced:	SO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	425.028015
ΔH_f, kcal/mol:	30.11
Dipole, Da:	9.0
IP(EA), eV:	-8.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-(2,2-dichloroethenyl)-N-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)NC(=O)[C@@H](C)OC4=CC=CC=C4OC

DOS

IR

Vibrations