Geometry & MOs

Info

ID:	143662
PubChem CID:	53245321
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	508.13359
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	7.18
IP(EA), eV:	-9.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R,4S,5R)-2-(4-chlorophenyl)-5-hydroxy-1-(thiophen-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CS2(=O)=O)N3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations