Geometry & MOs

Info

ID:	449230
PubChem CID:	135297020
Reduced:	SN2F3O7C22H23 (1)
Stoich.:	AB2C3D7E22F23 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-377.62
Dipole, Da:	7.22
IP(EA), eV:	-9.16(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(=CC1=O)C3=CC(=C(C=C3[C@@H]4N2C(CC4)(C)C)OS(=O)(=O)C(F)(F)F)OC

DOS

IR

Vibrations