Geometry & MOs

Info

ID:	40034
PubChem CID:	8143458
Reduced:	ClSN4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	330.187818
ΔH_f, kcal/mol:	45.62
Dipole, Da:	4.39
IP(EA), eV:	-8.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations