Geometry & MOs

Info

ID:	179894
PubChem CID:	76551047
Reduced:	F4N6O8C65H96 (1)
Stoich.:	A4B6C8D65E96 (1)
Weight, g/mol:	973.940126
ΔH_f, kcal/mol:	-584.1
Dipole, Da:	3.21
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-octyldodecyl) 2-(octadecanoylamino)pentanedioate

Drug info:

Smile

CCCC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)N3CCC(CC3)COCC.CCCC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)N3CCC(CC3)COCC.C(=O)O

DOS

IR

Vibrations