Geometry & MOs

Info

ID:	163060
PubChem CID:	57588019
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	512.171414
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	5.38
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-chlorophenyl)-2-[(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)-prop-2-enoxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(C3=CC=CC=C3)N

DOS

IR

Vibrations