Geometry & MOs

Info

ID:	430167
PubChem CID:	135170230
Reduced:	N4O4C19H38 (1)
Stoich.:	A4B4C19D38 (1)
Weight, g/mol:	326.090055
ΔH_f, kcal/mol:	-219.06
Dipole, Da:	4.63
IP(EA), eV:	-9.08(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(C(=O)OCC)N1CCC(CC1)NCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations