Geometry & MOs

Info

ID:	398565
PubChem CID:	135033911
Reduced:	NSO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	1172.719903
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	3.18
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CC2CC(=O)CC3(C2CCCN3)C1S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations