Geometry & MOs

Info

ID:

416146

PubChem CID:

135089154

Reduced:

SCl2N6O7C35H46 (1)

Stoich.:

AB2C6D7E35F46 (1)

Weight, g/mol:

418.238019

ΔHf, kcal/mol:

-283.6

Dipole, Da:

6.13

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)C(=O)COC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3)C)CCSC)C(C)C

DOS

IR

Vibrations