Geometry & MOs

Info

ID:

14045

PubChem CID:

402070

Reduced:

O2Cl5N7H36C43 (1)

Stoich.:

A2B5C7D36E43 (1)

Weight, g/mol:

859.134362

ΔHf, kcal/mol:

61.78

Dipole, Da:

14.06

IP(EA), eV:

 -8.93(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)benzo[g]indazole-3-carbonyl]amino]propyl-methylamino]propyl]benzo[g]indazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl.Cl

DOS

IR

Vibrations