Geometry & MOs

Info

ID:

179911

PubChem CID:

76554055

Reduced:

ClFSN5O5C23H23 (1)

Stoich.:

ABCD5E5F23G23 (1)

Weight, g/mol:

556.200109

ΔHf, kcal/mol:

-194.45

Dipole, Da:

2.05

IP(EA), eV:

 -8.53(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[1-carbamoyl-5-[2-(dimethylamino)ethoxy]indol-3-yl]-3-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CSC(N1C(=O)NC2=CN(C3=C2C=C(C=C3)OCCO)C(=O)N)C(=O)NCC4=C(C(=CC=C4)Cl)F

DOS

IR

Vibrations