Geometry & MOs

Info

ID:

161880

PubChem CID:

57392922

Reduced:

Cl2N4O4C33H38 (1)

Stoich.:

A2B4C4D33E38 (1)

Weight, g/mol:

1126.513672

ΔHf, kcal/mol:

-123.18

Dipole, Da:

9.57

IP(EA), eV:

 -8.78(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl N-[(2S)-6-amino-1-[[(2S)-6-[[(2S)-6-amino-2-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]amino]-1-[[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamate;dihydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H](C)NC(=O)N1[C@H]([C@H](N=C1C2=C(C=C(C=C2)OC)OC(C)C)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations