Geometry & MOs

Info

ID:	155059
PubChem CID:	56320629
Reduced:	SCl2N4O5C16H18 (1)
Stoich.:	AB2C4D5E16F18 (1)
Weight, g/mol:	386.162391
ΔH_f, kcal/mol:	-173.32
Dipole, Da:	11.99
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations