Geometry & MOs

Info

ID:

190229

PubChem CID:

77972901

Reduced:

O2Cl4N4C23H26 (1)

Stoich.:

A2B4C4D23E26 (1)

Weight, g/mol:

524.176123

ΔHf, kcal/mol:

-73.01

Dipole, Da:

7.08

IP(EA), eV:

 -9.18(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[1-(3-chlorothiophen-2-yl)propan-2-ylamino]-2-oxopyridin-3-ylidene]-6-[1-(dimethylamino)propan-2-yl]-4a,5-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one

Drug info:

PubChemData

Smile

CNCCC1C(=O)N(CCC(N1)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations