Geometry & MOs

Info

ID:

221232

PubChem CID:

85261609

Reduced:

ClNO7C28H48 (1)

Stoich.:

ABC7D28E48 (1)

Weight, g/mol:

545.148426

ΔHf, kcal/mol:

-357.7

Dipole, Da:

11.11

IP(EA), eV:

 -7.95(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4,6-dichloro-3-[3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OCC(C[NH+]4CCCCC4)O)O)C)O)C.[Cl-]

DOS

IR

Vibrations