Geometry & MOs

Info

ID:

170276

PubChem CID:

75214658

Reduced:

O16C29H32 (1)

Stoich.:

A16B29C32 (1)

Weight, g/mol:

882.450273

ΔHf, kcal/mol:

-632.28

Dipole, Da:

6.8

IP(EA), eV:

 -9.06(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[6-amino-2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoate;gold(1+)

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC(=O)C

DOS

IR

Vibrations