Geometry & MOs

Info

ID:	232774
PubChem CID:	87576952
Reduced:	O2Si2C43H54 (1)
Stoich.:	A2B2C43D54 (1)
Weight, g/mol:	223.070071
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	1.94
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2C=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations