Geometry & MOs

Info

ID:	384772
PubChem CID:	134977639
Reduced:	NSO3C20H31 (1)
Stoich.:	ABC3D20E31 (1)
Weight, g/mol:	196.125201
ΔH_f, kcal/mol:	-113.13
Dipole, Da:	6.6
IP(EA), eV:	-9.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)N[C@H](C=C=CC(C)C)C(C)C)C)C)OC

DOS

IR

Vibrations