Geometry & MOs

Info

ID:

227613

PubChem CID:

87562093

Reduced:

ClO2N4C34H43 (2)

Stoich.:

AB2C4D34E43 (2)

Weight, g/mol:

439.235873

ΔHf, kcal/mol:

-119.5

Dipole, Da:

4.67

IP(EA), eV:

 -8.63(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (Z)-5-[4-(2-methoxyphenyl)phenyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Drug info:

PubChemData

Smile

CC[C@H](CN1CC[C@@H](N[C@@H](C1=O)CCN2CCCCC2)CNC(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=CC=C5.CC[C@@H](CN1CC[C@@H](N[C@@H](C1=O)CCN2CCCCC2)CNC(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations