Geometry & MOs

Info

ID:

179801

PubChem CID:

76533852

Reduced:

O12C27H40 (3)

Stoich.:

A12B27C40 (3)

Weight, g/mol:

421.257671

ΔHf, kcal/mol:

-657.89

Dipole, Da:

17.65

IP(EA), eV:

 -7.23(-2.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]carbamoylamino]pentanoate

Drug info:

PubChemData

Smile

COCC1C2C(C(C(O1)OC3C4COCCOC5=C(C=C6CC7=CC8=C(C=C7CC9=CC(=C(C=C9CC6=C5)OC)OCCOCC1C(C(C(C(O1)OC1C(OC(C(C1OC)OC)OC1C(COCCO8)OC(O2)C(C1OC)OC)COC)OC)OC)OC1C(C(C(C(O1)COC)OC(O4)C(C3OC)OC)OC)OC)OC)OC)OC)OC

DOS

IR

Vibrations