Geometry & MOs

Info

ID:	245155
PubChem CID:	99437708
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	7.45
IP(EA), eV:	-8.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CSCC(=O)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations