Geometry & MOs

Info

ID:	175998
PubChem CID:	75980843
Reduced:	SCl2N2O4C21H28 (1)
Stoich.:	AB2C2D4E21F28 (1)
Weight, g/mol:	474.114684
ΔH_f, kcal/mol:	-197.68
Dipole, Da:	6.35
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC1)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations