Geometry & MOs

Info

ID:

424826

PubChem CID:

135124078

Reduced:

SO4N7C37H43 (1)

Stoich.:

AB4C7D37E43 (1)

Weight, g/mol:

561.266128

ΔHf, kcal/mol:

-17.9

Dipole, Da:

11.28

IP(EA), eV:

 -9.09(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-(1-ethyltriazol-4-yl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methylthiophen-2-yl]-2,2-dimethylpentanoate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)N(C)C(=O)C6=CN=CN=C6)C

DOS

IR

Vibrations