Geometry & MOs

Info

ID:

420743

PubChem CID:

135114751

Reduced:

N8O8C43H60 (1)

Stoich.:

A8B8C43D60 (1)

Weight, g/mol:

401.21147

ΔHf, kcal/mol:

-342.18

Dipole, Da:

9.52

IP(EA), eV:

 -8.76(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(spiro[2.5]octan-2-ylmethyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)CCCNC(=O)C)C(C)C

DOS

IR

Vibrations