Geometry & MOs

Info

ID:	222406
PubChem CID:	85300611
Reduced:	NSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	4.37
IP(EA), eV:	-9.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1C2CC(C1C(=O)N3CC4C5CC(C4S3(=O)=O)C=C5)C=C2

DOS

IR

Vibrations