Geometry & MOs

Info

ID:

147525

PubChem CID:

53787181

Reduced:

O6N7C40H57 (1)

Stoich.:

A6B7C40D57 (1)

Weight, g/mol:

465.220989

ΔHf, kcal/mol:

-225.41

Dipole, Da:

3.86

IP(EA), eV:

 -9.41(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-fluoro-4,6-dimethylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC1=CN=CN1)N(C2=CC=CC=N2)C(=O)OCC=CC3=CC=CC=C3)O)C(C)C

DOS

IR

Vibrations