Geometry & MOs

Info

ID:

225875

PubChem CID:

87235886

Reduced:

NPSiO8C27H44 (1)

Stoich.:

ABCD8E27F44 (1)

Weight, g/mol:

1541.12953

ΔHf, kcal/mol:

-431.95

Dipole, Da:

3.84

IP(EA), eV:

 -9.18(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3-bromobenzoyl)amino]-2-methylanilino]-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-[5-[(3-bromobenzoyl)amino]-2-methylanilino]-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate;2-methylpropyl N-[3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(CCN(C/C(=C/CC1=C(C(=C2COC(=O)C2=C1OCC[Si](C)(C)C)C)OC)/C)C=O)O

DOS

IR

Vibrations