Geometry & MOs

Info

ID:	276960
PubChem CID:	103825993
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	3.82
IP(EA), eV:	-9.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)C#N)C)C

DOS

IR

Vibrations