Geometry & MOs

Info

ID:

163493

PubChem CID:

58005153

Reduced:

SF3N5O7C39H54 (1)

Stoich.:

AB3C5D7E39F54 (1)

Weight, g/mol:

588.180758

ΔHf, kcal/mol:

-394.79

Dipole, Da:

15.43

IP(EA), eV:

 -8.22(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3CC4CN3C(=O)[C@@H](NC(CCCCCCC5=C6CN(CC6=CC=C5)C(=O)O4)C(F)(F)F)C7CCCCC7

DOS

IR

Vibrations