Geometry & MOs

Info

ID:

446705

PubChem CID:

135277042

Reduced:

N3O3F4C28H33 (1)

Stoich.:

A3B3C4D28E33 (1)

Weight, g/mol:

514.275547

ΔHf, kcal/mol:

-279.69

Dipole, Da:

3.72

IP(EA), eV:

 -8.4(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(1R,3R)-1-[5-fluoro-2-[2-[3-fluoropropyl(methyl)amino]ethoxy]-3-methylpyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2C3=C(CCN2C[C@@H](C)C(=O)OC)C4=C(N3)C=CC(=C4)F)F)OCCNCCC(F)F

DOS

IR

Vibrations