Geometry & MOs

Info

ID:	143636
PubChem CID:	53239809
Reduced:	PSC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	428.107375
ΔH_f, kcal/mol:	10.54
Dipole, Da:	1.58
IP(EA), eV:	-8.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)SCCP(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations