Geometry & MOs

Info

ID:

446720

PubChem CID:

135277152

Reduced:

F2O3N4C27H34 (1)

Stoich.:

A2B3C4D27E34 (1)

Weight, g/mol:

582.321749

ΔHf, kcal/mol:

-166.52

Dipole, Da:

4.19

IP(EA), eV:

 -8.43(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[1-[2-[2-[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-methylpyridin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1OCCN(C)CCCF)F)C2C3=C(CCN2CC(C)C(=O)O)C4=CC=CC=C4N3

DOS

IR

Vibrations