Geometry & MOs

Info

ID:	146705
PubChem CID:	53732254
Reduced:	SO6C10H18 (1)
Stoich.:	AB6C10D18 (1)
Weight, g/mol:	630.460788
ΔH_f, kcal/mol:	-191.22
Dipole, Da:	2.39
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(octadec-9-enoylamino)propyl 3-[(2-hydroxy-3,3-dimethyl-4-phenylmethoxybutanoyl)amino]propanoate

Drug info:

PubChemData

Smile

COC1C(C(C(O1)CSCCC(=C)OO)O)O

DOS

IR

Vibrations