Geometry & MOs

Info

ID:

424971

PubChem CID:

135124637

Reduced:

O3N5C27H35 (1)

Stoich.:

A3B5C27D35 (1)

Weight, g/mol:

522.230077

ΔHf, kcal/mol:

-58.32

Dipole, Da:

3.39

IP(EA), eV:

 -9.04(-0.5)

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-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=C(C3=C(C=C2)N(N=N3)C)C)C(C)(C)C(=O)O)CN4CCCN(C(=O)C4)C

DOS

IR

Vibrations