Geometry & MOs

Info

ID:

161566

PubChem CID:

57392013

Reduced:

F3N3O3C28H32 (1)

Stoich.:

A3B3C3D28E32 (1)

Weight, g/mol:

538.219175

ΔHf, kcal/mol:

-199.43

Dipole, Da:

4.75

IP(EA), eV:

 -8.52(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COCCCN1C=C(C2=C1C=CC=C2F)CN(C3CC3)C(=O)[C@H]4CNCC[C@@]4(C5=CC(=C(C=C5)F)F)O

DOS

IR

Vibrations