Geometry & MOs

Info

ID:	157565
PubChem CID:	56435739
Reduced:	NSO2C19H29 (1)
Stoich.:	ABC2D19E29 (1)
Weight, g/mol:	363.186815
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	2.21
IP(EA), eV:	-8.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-1-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C(C(C)C)SCC2=CC=CC=C2

DOS

IR

Vibrations