Geometry & MOs

Info

ID:	33063
PubChem CID:	7850523
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	6.11
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC(=O)C(C)(C)C

DOS

IR

Vibrations