Geometry & MOs

Info

ID:

188627

PubChem CID:

77745002

Reduced:

FCl2N3O4C30H30 (1)

Stoich.:

AB2C3D4E30F30 (1)

Weight, g/mol:

617.233574

ΔHf, kcal/mol:

-177.41

Dipole, Da:

4.99

IP(EA), eV:

 -9.43(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[1-(diethylcarbamoyl)azetidin-3-yl]-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2C3(C(C(N2)C(=O)NCCC(CO)O)C4=CC(=CC=C4)Cl)C5=CC(=C(C=C5NC3=O)Cl)F

DOS

IR

Vibrations