Geometry & MOs

Info

ID:

191169

PubChem CID:

78114246

Reduced:

S3N4O7C39H50 (1)

Stoich.:

A3B4C7D39E50 (1)

Weight, g/mol:

718.260725

ΔHf, kcal/mol:

-268.22

Dipole, Da:

8.33

IP(EA), eV:

 -8.63(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[3-[5-[[[2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]cyclohexyl]thiophen-2-yl]-2-hydroxy-2-thiophen-2-ylacetic acid

Drug info:

PubChemData

Smile

CN(CCCN1C2=C(C=C(C=C2)CNCC(C3CCC(C4C3CCC(=O)N4)O)O)SC1=O)C5CCC(CC5)C6=C(SC=C6)C(C7=CC=CS7)(C(=O)O)O

DOS

IR

Vibrations