Geometry & MOs

Info

ID:	223682
PubChem CID:	85335412
Reduced:	SCl2N3O4C21H25 (1)
Stoich.:	AB2C3D4E21F25 (1)
Weight, g/mol:	485.196045
ΔH_f, kcal/mol:	-141.1
Dipole, Da:	3.36
IP(EA), eV:	-9.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)CNC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations