Geometry & MOs

Info

ID:

417191

PubChem CID:

135091619

Reduced:

N5O6C28H43 (1)

Stoich.:

A5B6C28D43 (1)

Weight, g/mol:

415.201968

ΔHf, kcal/mol:

-267.06

Dipole, Da:

7.17

IP(EA), eV:

 -9.4(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)COC(C)C)CC2=CC=CC=C2)C)C(C)C

DOS

IR

Vibrations