Geometry & MOs

Info

ID:	334723
PubChem CID:	127253398
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	563.112914
ΔH_f, kcal/mol:	-173.77
Dipole, Da:	3.74
IP(EA), eV:	-10.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2

DOS

IR

Vibrations