Geometry & MOs

Info

ID:

17281

PubChem CID:

491575

Reduced:

S2N5O10C40H61 (1)

Stoich.:

A2B5C10D40E61 (1)

Weight, g/mol:

835.385986

ΔHf, kcal/mol:

-454.71

Dipole, Da:

3.2

IP(EA), eV:

 -8.54(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-[[3-[[2-[[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-3-(1-oxo-1,3-dithian-2-yl)propanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C(CC2SCCCS2=O)NC(=O)C(C3CCCCC3)NC(=O)OCC(C)C

DOS

IR

Vibrations