Geometry & MOs

Info

ID:	218786
PubChem CID:	85089970
Reduced:	SiO2C33H52 (1)
Stoich.:	AB2C33D52 (1)
Weight, g/mol:	507.137978
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	4.09
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-dodecoxyethylsulfanyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC1(CCC2=C(C1=O)C=CC(=C2)O[Si](C)(C)C(C)(C)C)C)C)C)C

DOS

IR

Vibrations