Geometry & MOs

Info

ID:

231744

PubChem CID:

87574550

Reduced:

NSO5H11C12 (1)

Stoich.:

ABC5D11E12 (1)

Weight, g/mol:

694.062666

ΔHf, kcal/mol:

-154.83

Dipole, Da:

5.13

IP(EA), eV:

 -10.38(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]amino]-3-methyl-4-oxobutanoyl] 4-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]amino]-3,3-dimethyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC=C)S(=O)(=O)N=C=O

DOS

IR

Vibrations