Geometry & MOs

Info

ID:	188155
PubChem CID:	77674824
Reduced:	ClSi3O4N5C37H76 (1)
Stoich.:	AB3C4D5E37F76 (1)
Weight, g/mol:	419.209658
ΔH_f, kcal/mol:	-309.59
Dipole, Da:	5.08
IP(EA), eV:	-8.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[Si](C1=NC(C2(C(N1[Si](C(C)C)(C(C)C)C(C)C)N(C=N2)C3C(C(C(O3)CO)O)O)[Si](C(C)C)(C(C)C)C(C)C)(N)Cl)(C(C)C)C(C)C

DOS

IR

Vibrations