Geometry & MOs

Info

ID:

215427

PubChem CID:

85084718

Reduced:

SN10O12C39H70 (1)

Stoich.:

AB10C12D39E70 (1)

Weight, g/mol:

903.320802

ΔHf, kcal/mol:

-617.32

Dipole, Da:

7.43

IP(EA), eV:

 -8.58(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations