Geometry & MOs

Info

ID:	148770
PubChem CID:	53788439
Reduced:	NSiO4C34H47 (1)
Stoich.:	ABC4D34E47 (1)
Weight, g/mol:	379.202859
ΔH_f, kcal/mol:	-184.81
Dipole, Da:	2.92
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[dodecanoyl(2-sulfoethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCC=CC1=CC2=C(C=C1C(=O)OC3=NC=C(C=C3)C(=O)OCC=CC[Si](C)(C)C)C(CCC2(C)C)(C)C

DOS

IR

Vibrations