Geometry & MOs

Info

ID:	402284
PubChem CID:	135055347
Reduced:	CoSiB2O4C39H54 (1)
Stoich.:	ABC2D4E39F54 (1)
Weight, g/mol:	433.282823
ΔH_f, kcal/mol:	-253.16
Dipole, Da:	28.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.995658
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(dodecanoylamino)-4-(4-methoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C[C@@H]2[Si](C)(C)C)C3=CC=CC=C3)B4OC(C(O4)(C)C)(C)C)C5=CC=CC=C5.[CH3-].C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations