Geometry & MOs

Info

ID:

215625

PubChem CID:

85084999

Reduced:

O23C54H82 (1)

Stoich.:

A23B54C82 (1)

Weight, g/mol:

1098.747711

ΔHf, kcal/mol:

-1053.16

Dipole, Da:

7.05

IP(EA), eV:

 -9.31(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 2-[[2-[[2-[[2-amino-3-[2,3-di(tetradecanoyloxy)propylsulfanyl]propanoyl]amino]acetyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O

DOS

IR

Vibrations