Geometry & MOs

Info

ID:

417575

PubChem CID:

135102094

Reduced:

SN5O9C37H51 (1)

Stoich.:

AB5C9D37E51 (1)

Weight, g/mol:

375.19582

ΔHf, kcal/mol:

-350.26

Dipole, Da:

9.04

IP(EA), eV:

 -8.56(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-(4-methylazepan-1-yl)methanone

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)N1)CCSC)C(C)C)C(=O)CCC(=O)C2=CC(=C(C=C2OC)OC)OC)CC3=CC=CC=C3

DOS

IR

Vibrations