Geometry & MOs

Info

ID:

161565

PubChem CID:

57392010

Reduced:

FN2O5C30H41 (1)

Stoich.:

AB2C5D30E41 (1)

Weight, g/mol:

515.239576

ΔHf, kcal/mol:

-220.44

Dipole, Da:

5.23

IP(EA), eV:

 -8.93(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(3-methoxypropyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@]2(CCNC[C@@H]2C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCCOC)C4CC4)O)F

DOS

IR

Vibrations