Geometry & MOs

Info

ID:

45165

PubChem CID:

10508615

Reduced:

IN3O3S3C27H28 (1)

Stoich.:

AB3C3D3E27F28 (1)

Weight, g/mol:

666.39925

ΔHf, kcal/mol:

-32.48

Dipole, Da:

9.92

IP(EA), eV:

 -6.82(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(5S)-6-(2-cyclohexylethylamino)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCN\1CCS/C1=C\C=C/2\C(=O)[N+](=C(S2)/C=C\3/N(C4=C(S3)C5=CC=CC=C5C=C4)CCC(=O)O)CC.[I-]

DOS

IR

Vibrations