Geometry & MOs

Info

ID:	157486
PubChem CID:	56430534
Reduced:	N2S2O5H18C20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-111.74
Dipole, Da:	3.0
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations