Geometry & MOs

Info

ID:

445522

PubChem CID:

135267610

Reduced:

FN2O3H23C27 (1)

Stoich.:

AB2C3D23E27 (1)

Weight, g/mol:

651.220321

ΔHf, kcal/mol:

-31.17

Dipole, Da:

6.58

IP(EA), eV:

 -8.25(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[[tert-butyl(formyl)amino]methyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-7-phenylfuro[2,3-e]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1/C(=C/2\C(=C/C(=C)C3=CC=CC(=C3)C=O)\C(=C(O2)C4=CC=C(C=C4)F)C(=O)NC)/C=CN1

DOS

IR

Vibrations