Geometry & MOs

Info

ID:	162029
PubChem CID:	57393387
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	417.221641
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	1.16
IP(EA), eV:	-9.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1'-cyclohexylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations