Geometry & MOs

Info

ID:

222923

PubChem CID:

85333178

Reduced:

NO5C40H57 (1)

Stoich.:

AB5C40D57 (1)

Weight, g/mol:

632.126311

ΔHf, kcal/mol:

-254.0

Dipole, Da:

5.64

IP(EA), eV:

 -8.42(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dichloro-N-[1-[[5-[methoxy(methyl)amino]-5-oxo-1-phenylpent-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-sulfamoylbenzamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)CCCCCCCOC1=CC=C(C=C1)C2CC3(C(CCC3O)C4(C2C5=C(CC4)C=C(C=C5)OC(=O)C)C)C

DOS

IR

Vibrations