Geometry & MOs

Info

ID:	158005
PubChem CID:	56459395
Reduced:	SO2N4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	406.192629
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	6.77
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)CC4=CSC(=N4)C)C

DOS

IR

Vibrations