Geometry & MOs

Info

ID:

215554

PubChem CID:

85084899

Reduced:

N4O6C65H94 (1)

Stoich.:

A4B6C65D94 (1)

Weight, g/mol:

1028.633075

ΔHf, kcal/mol:

-217.26

Dipole, Da:

5.16

IP(EA), eV:

 -7.68(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-acetamido-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)N2

DOS

IR

Vibrations