Geometry & MOs

Info

ID:	227717
PubChem CID:	87562295
Reduced:	SF3O4N5C34H42 (1)
Stoich.:	AB3C4D5E34F42 (1)
Weight, g/mol:	368.267508
ΔH_f, kcal/mol:	-317.01
Dipole, Da:	10.17
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-14-enoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=S)N)NC(=O)[C@]1(CCC2=C(C1)C3=C(N2)C(=CC=C3)C(F)(F)F)NC(=O)C(C(C)CC)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations