Geometry & MOs

Info

ID:	249350
PubChem CID:	103088819
Reduced:	SN2C9H22 (1)
Stoich.:	AB2C9D22 (1)
Weight, g/mol:	352.021532
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	2.15
IP(EA), eV:	-8.44(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(CCCSC)CN

DOS

IR

Vibrations