Geometry & MOs

Info

ID:	430172
PubChem CID:	135170235
Reduced:	N3C22H31 (1)
Stoich.:	A3B22C31 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	6.87
Dipole, Da:	3.01
IP(EA), eV:	-8.25(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-(2-fluorophenyl)sulfonyl-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

Drug info:

PubChemData

Smile

CCC1=CC2=C3C(=C(N=C2C=C1CCCCN4CCCC4)C)CCN3

DOS

IR

Vibrations