Geometry & MOs

Info

ID:	249383
PubChem CID:	103089095
Reduced:	SN3C13H29 (1)
Stoich.:	AB3C13D29 (1)
Weight, g/mol:	352.021532
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	3.71
IP(EA), eV:	-8.43(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)C(CCCSC)CN

DOS

IR

Vibrations