Geometry & MOs

Info

ID:	243982
PubChem CID:	99303107
Reduced:	SN3O3C26H35 (1)
Stoich.:	AB3C3D26E35 (1)
Weight, g/mol:	469.239913
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	6.39
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-pentan-2-yl]-1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCC3=CC=CS3

DOS

IR

Vibrations