Geometry & MOs

Info

ID:	229387
PubChem CID:	87567531
Reduced:	S2N4O9C20H32 (1)
Stoich.:	A2B4C9D20E32 (1)
Weight, g/mol:	437.123226
ΔH_f, kcal/mol:	-394.01
Dipole, Da:	7.39
IP(EA), eV:	-9.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]imidazol-1-yl]acetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2.C1C(C(=O)NC1=O)S(=O)(=O)O

DOS

IR

Vibrations