Geometry & MOs

Info

ID:

14044

PubChem CID:

402069

Reduced:

O2Cl4N7H31C41 (1)

Stoich.:

A2B4C7D31E41 (1)

Weight, g/mol:

795.126384

ΔHf, kcal/mol:

98.3

Dipole, Da:

5.47

IP(EA), eV:

 -8.85(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations