Geometry & MOs

Info

ID:

445523

PubChem CID:

135267613

Reduced:

FSN3O5H34C37 (1)

Stoich.:

ABC3D5E34F37 (1)

Weight, g/mol:

511.192963

ΔHf, kcal/mol:

-135.37

Dipole, Da:

2.76

IP(EA), eV:

 -8.77(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-6-methylsulfanyl-7-phenylfuro[2,3-e]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1=CC(=CC=C1)C2=C3C(=C4C(=C2)C(=C(O4)C5=CC=C(C=C5)F)C(=O)NC)C=C(N3S(=O)(=O)C)C6=CC=CC=C6)C=O

DOS

IR

Vibrations