Geometry & MOs

Info

ID:

215776

PubChem CID:

85085244

Reduced:

N20O21C81H142 (1)

Stoich.:

A20B21C81D142 (1)

Weight, g/mol:

1761.680484

ΔHf, kcal/mol:

-1053.19

Dipole, Da:

13.81

IP(EA), eV:

 -8.05(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexane-1,2-diamine;2-[3-[18-[3-(1,3-dicarboxylatopropylamino)-3-oxopropyl]-8,13-bis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanedioate;platinum(2+)

Drug info:

PubChemData

Smile

CCC(C)(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

DOS

IR

Vibrations