Geometry & MOs

Info

ID:

215438

PubChem CID:

85084732

Reduced:

O17C47H76 (1)

Stoich.:

A17B47C76 (1)

Weight, g/mol:

913.600075

ΔHf, kcal/mol:

-827.98

Dipole, Da:

6.53

IP(EA), eV:

 -9.52(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-(2-aminoethyl)-12-benzyl-9-butan-2-yl-15-[19-(diaminomethylideneamino)nonadecanoylamino]-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)CO)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O

DOS

IR

Vibrations