Geometry & MOs

Info

ID:

179172

PubChem CID:

76445472

Reduced:

N2Cl3C11H13 (1)

Stoich.:

A2B3C11D13 (1)

Weight, g/mol:

1042.776977

ΔHf, kcal/mol:

-13.35

Dipole, Da:

4.52

IP(EA), eV:

-9.66(-1.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[4-oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1CC2C(=CC1N2)C3=CN=C(C=C3)Cl.Cl.Cl

DOS

IR

Vibrations