Geometry & MOs

Info

ID:	307263
PubChem CID:	125299301
Reduced:	IN2O5H11C14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	417.145534
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	4.32
IP(EA), eV:	-9.87(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,3aR,6aR)-5'-chloro-5-[[(2R)-oxolan-2-yl]methyl]-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)N=C1COC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations