Geometry & MOs

Info

ID:

223180

PubChem CID:

85334644

Reduced:

Li2P2S2N14O27C38H56 (1)

Stoich.:

A2B2C2D14E27F38G56 (1)

Weight, g/mol:

1279.849247

ΔHf, kcal/mol:

-1378.98

Dipole, Da:

6.88

IP(EA), eV:

 -8.97(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-benzamido-2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[4-methyl-2-[[4-methyl-2-[[2-(pentadecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

[Li+].[Li+].C1NC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(NC(CCC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4NC(NC5=O)N)O)O)C(=O)NCC(=O)O)C(=O)O)[O-])O)O

DOS

IR

Vibrations