Geometry & MOs

Info

ID:

441425

PubChem CID:

135234618

Reduced:

O2S2N5C26H27 (1)

Stoich.:

A2B2C5D26E27 (1)

Weight, g/mol:

556.174055

ΔHf, kcal/mol:

7.34

Dipole, Da:

7.64

IP(EA), eV:

 -7.92(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-chloro-5-fluoro-4-[(1R,3S)-3-(fluoromethyl)-2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(CC4)O)CC5=CN=CC=C5

DOS

IR

Vibrations