Geometry & MOs

Info

ID:

325375

PubChem CID:

126682971

Reduced:

BrN4O6C28H37 (1)

Stoich.:

AB4C6D28E37 (1)

Weight, g/mol:

553.278801

ΔHf, kcal/mol:

-260.68

Dipole, Da:

4.6

IP(EA), eV:

 -8.95(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-7-formyl-2,4-dimethyl-1,3-benzodioxol-2-yl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)CN4CCN(CC4)C(=O)OC(C)(C)C)Br)C

DOS

IR

Vibrations