Geometry & MOs

Info

ID:

150657

PubChem CID:

53790351

Reduced:

N3O11C40H67 (1)

Stoich.:

A3B11C40D67 (1)

Weight, g/mol:

511.206482

ΔHf, kcal/mol:

-447.33

Dipole, Da:

4.63

IP(EA), eV:

 -8.53(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(=O)C.CC(=O)C1=CC(=C(C(=C1)OCCOCCOCCNC)OCCOCCOCCNC)OCCOCCOCCNC

DOS

IR

Vibrations