Geometry & MOs

Info

ID:

424784

PubChem CID:

135123909

Reduced:

O4N5C28H35 (1)

Stoich.:

A4B5C28D35 (1)

Weight, g/mol:

521.234828

ΔHf, kcal/mol:

-60.22

Dipole, Da:

5.79

IP(EA), eV:

 -8.87(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methylthiophen-2-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=NN(C(=C3)COCC4=CC=C(C=C4)OC)C)C(C)(C)C(=O)OC)C)N=N1

DOS

IR

Vibrations