Geometry & MOs

Info

ID:	393353
PubChem CID:	135020269
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	4.58
IP(EA), eV:	-9.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3S,4'S,7'S)-2'-methyl-2-oxospiro[1H-indole-3,3'-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole]-5',6'-dicarboxylate

Drug info:

PubChemData

Smile

CC#CC(C)N(C/C=C\CO)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations