Geometry & MOs

Info

ID:	229290
PubChem CID:	87567335
Reduced:	ClFSO3N4C22H26 (1)
Stoich.:	ABCD3E4F22G26 (1)
Weight, g/mol:	197.045486
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	5.61
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-1-methoxy-1-oxopropan-2-yl)azanium;chloride

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=NN(N=C4)CCC(=O)O)/C3)S.Cl

DOS

IR

Vibrations