Geometry & MOs

Info

ID:	245096
PubChem CID:	99437460
Reduced:	SO3N5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	463.25834
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	5.97
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[4-[(3S)-3-carbamoylpiperidin-1-yl]benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)NC(=O)[C@@H]3CSCN3C(=O)C4=CNC5=CC=CC=C54)C(=O)N

DOS

IR

Vibrations