Geometry & MOs

Info

ID:

227557

PubChem CID:

87561983

Reduced:

O2N3Cl4C25H28 (1)

Stoich.:

A2B3C4D25E28 (1)

Weight, g/mol:

414.043501

ΔHf, kcal/mol:

-32.57

Dipole, Da:

2.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780462

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]1(CCNC1)[N+](C)([C@@H](CC2=C(C=C(C=C2)Cl)Cl)C(=O)N)C(=O)C3(CC3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations