Geometry & MOs

Info

ID:	302928
PubChem CID:	124403695
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	385.309313
ΔH_f, kcal/mol:	-107.16
Dipole, Da:	7.56
IP(EA), eV:	-8.97(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)[C@@H](C)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

DOS

IR

Vibrations