Geometry & MOs

Info

ID:

14682

PubChem CID:

417479

Reduced:

N3O5C26H34 (2)

Stoich.:

A3B5C26D34 (2)

Weight, g/mol:

936.499692

ΔHf, kcal/mol:

-401.75

Dipole, Da:

7.35

IP(EA), eV:

 -9.62(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[10-[2,5-bis(phenylmethoxycarbonylamino)pentanoylamino]decylamino]-1-oxo-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NCCCCCCCCCCNC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations