Geometry & MOs

Info

ID:	179513
PubChem CID:	76491790
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	687.193663
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	1.46
IP(EA), eV:	-9.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 6-(benzenesulfinylmethyl)-4-(2,6-dichlorophenyl)-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C=C=C1C2N(C1=O)CCS2(=O)=O

DOS

IR

Vibrations