Geometry & MOs

Info

ID:	43479
PubChem CID:	10321363
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	446.289306
ΔH_f, kcal/mol:	-177.81
Dipole, Da:	5.89
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-1-[[4-[[3-(2-hydroxyethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2CC[C@H](N2C)CC1OS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

DOS

IR

Vibrations