Geometry & MOs

Info

ID:

381249

PubChem CID:

134971925

Reduced:

O4H44C65 (1)

Stoich.:

A4B44C65 (1)

Weight, g/mol:

454.06742

ΔHf, kcal/mol:

63.57

Dipole, Da:

1.72

IP(EA), eV:

 -8.28(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-bromo-3-[4-(tert-butylcarbamoyl)-1,3-thiazol-2-yl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1=C=C3[C@@H](CCC4=C3C5=C(C=C4)C=C(C=C5)OC(=O)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C)C1=C(C=C2)C=C(C=C1)OC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

DOS

IR

Vibrations