Geometry & MOs

Info

ID:

185029

PubChem CID:

77242092

Reduced:

FSSiO3N5C33H36 (1)

Stoich.:

ABCD3E5F33G36 (1)

Weight, g/mol:

549.194296

ΔHf, kcal/mol:

-85.01

Dipole, Da:

5.44

IP(EA), eV:

 -8.71(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[4-[5-(6-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,2-dimethyl-4-oxobutyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)F)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)OCC(C)O[Si](C)(C)C(C)(C)C)C#N

DOS

IR

Vibrations