Geometry & MOs

Info

ID:

150330

PubChem CID:

53790018

Reduced:

ON2C27H36 (1)

Stoich.:

AB2C27D36 (1)

Weight, g/mol:

788.418923

ΔHf, kcal/mol:

-0.91

Dipole, Da:

5.86

IP(EA), eV:

 -7.82(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxyethyl 3-[4-(N-[4-[4-[N-(3,4-dimethylphenyl)-4-(5-hydroxy-3-oxopentyl)anilino]-3-methylphenyl]-2-methylphenyl]-3,4-dimethylanilino)phenyl]propanoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C=C(C)C(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C

DOS

IR

Vibrations