Geometry & MOs

Info

ID:

336616

PubChem CID:

127255623

Reduced:

N2F3O6C29H29 (1)

Stoich.:

A2B3C6D29E29 (1)

Weight, g/mol:

442.186813

ΔHf, kcal/mol:

-324.85

Dipole, Da:

12.91

IP(EA), eV:

 -8.72(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C\C(=O)O)F)NC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations