Geometry & MOs

Info

ID:	147585
PubChem CID:	53787241
Reduced:	SN3O6C34H39 (1)
Stoich.:	AB3C6D34E39 (1)
Weight, g/mol:	469.413109
ΔH_f, kcal/mol:	-179.54
Dipole, Da:	7.86
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl (2S,3R)-2-(dodecanoylamino)-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OS(=O)NC(CC(C)C)C(=O)OC(C2=C(C=CC(=C2)N3C=CN=C3)C)C4=C(C=C(C=C4C)C(=O)OC)C

DOS

IR

Vibrations