Geometry & MOs

Info

ID:	80909
PubChem CID:	49853860
Reduced:	OSC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	393.164161
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	3.84
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-chloro-2-propan-2-ylphenyl)methyl]-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC2=C(CSCC2=O)C=C1

DOS

IR

Vibrations