Geometry & MOs

Info

ID:

309444

PubChem CID:

126546310

Reduced:

N3O5C44H77 (1)

Stoich.:

A3B5C44D77 (1)

Weight, g/mol:

608.368619

ΔHf, kcal/mol:

-349.37

Dipole, Da:

3.29

IP(EA), eV:

 -9.17(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

heptyl (E)-3-[4-[[3,3,5-trimethyl-5-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl]cyclohexyl]carbamoylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)C1=CC=C(C=C1)NC(=O)NC2CC(CC(C2)(C)CNC(=O)OC)(C)C

DOS

IR

Vibrations