Geometry & MOs

Info

ID:

215789

PubChem CID:

85085258

Reduced:

SN12O62C96H166 (1)

Stoich.:

AB12C62D96E166 (1)

Weight, g/mol:

2684.368322

ΔHf, kcal/mol:

-2752.2

Dipole, Da:

16.14

IP(EA), eV:

 -9.2(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[amino-[methyl-[[4-[[2,4,4,6,6-pentakis[4-[[bis[2-(diethylamino)ethylamino]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]amino]phosphinothioyl]-N',N'-diethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC(=O)NC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C)NC(=O)C(CSC(C)(C)C)N

DOS

IR

Vibrations