Geometry & MOs

Info

ID:	46710
PubChem CID:	10526527
Reduced:	ClNSO4H18C22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	4.47
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3R)-1-benzyl-2'-hydroxy-2-oxospiro[indole-3,4'-pyrrolidine]-1'-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations