Geometry & MOs

Info

ID:	134282
PubChem CID:	51672524
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	468.17506
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	5.08
IP(EA), eV:	-8.99(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=CC=NN3C(C)C

DOS

IR

Vibrations