Geometry & MOs

Info

ID:	351876
PubChem CID:	127282794
Reduced:	NO2S3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	390.074171
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	6.29
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiomorpholine

Drug info:

PubChemData

Smile

CC1CN(CCS1)S(=O)(=O)C2=CC=C(S2)C

DOS

IR

Vibrations