Geometry & MOs

Info

ID:	335145
PubChem CID:	127254006
Reduced:	SN3O4H23C25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	477.166663
ΔH_f, kcal/mol:	-57.65
Dipole, Da:	2.57
IP(EA), eV:	-8.43(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CSCCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations