Geometry & MOs

Info

ID:	302428
PubChem CID:	124361694
Reduced:	ClN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	3.75
IP(EA), eV:	-9.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,8S)-N-(4-fluorophenyl)-5'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCCCC(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations