Geometry & MOs

Info

ID:	233235
PubChem CID:	89449394
Reduced:	SO2N3F5C24H28 (1)
Stoich.:	AB2C3D5E24F28 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-330.86
Dipole, Da:	8.96
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-azacycloundecane-3,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC(CC2)/C=C\3/C(=NC(=O)S3)N[C@@H]4CC(CC[C@H]4O)(F)F)C(F)(F)F

DOS

IR

Vibrations