Geometry & MOs

Info

ID:	327152
PubChem CID:	126689111
Reduced:	OF2N4S8C83H104 (1)
Stoich.:	AB2C4D8E83F104 (1)
Weight, g/mol:	441.345424
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	2.04
IP(EA), eV:	-8.0(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(18-methoxy-18-oxooctadecanoyl)amino]hexanoic acid

Drug info:

Smile

CCCCC(CC)CC1=CC=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)C(C)(C)C)C5=CC=C(S5)CC(CC)CCCC)C6=C(C=C(C7=NSN=C67)C8=CC9=C(S8)C1=C(C=C(S1)C1=CC(=C(C2=NSN=C12)C(C)(C)C)F)C(O9)(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C)F

DOS

IR

Vibrations