Geometry & MOs

Info

ID:	237610
PubChem CID:	92720004
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	429.127776
ΔH_f, kcal/mol:	-185.54
Dipole, Da:	10.22
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(4-chlorophenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1CCCC1)NS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C

DOS

IR

Vibrations