Geometry & MOs

Info

ID:	223698
PubChem CID:	85335437
Reduced:	SCl2N4O4C20H30 (1)
Stoich.:	AB2C4D4E20F30 (1)
Weight, g/mol:	493.281968
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	6.78
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-chloro-N-[[1-[1-(cyclohexylmethylamino)-1-oxohexan-2-yl]piperidin-4-yl]methyl]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)CC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations