Geometry & MOs

Info

ID:

445516

PubChem CID:

135267524

Reduced:

SO4N7F8H35C37 (1)

Stoich.:

AB4C7D8E35F37 (1)

Weight, g/mol:

479.200905

ΔHf, kcal/mol:

-397.39

Dipole, Da:

8.63

IP(EA), eV:

 -8.66(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-methyl-5-[3-[(2-methylbut-3-yn-2-ylamino)methyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC=CC3=C2N(N=C3NS(=O)(=O)C)C)[C@H](CC4=CC(=CC(C4)F)F)NC(=O)CN5C6=C(C(=N5)C(F)F)C(CCC6(F)F)(F)F)O

DOS

IR

Vibrations