Geometry & MOs

Info

ID:	146159
PubChem CID:	53645352
Reduced:	O2F3C7H13 (1)
Stoich.:	A2B3C7D13 (1)
Weight, g/mol:	533.198442
ΔH_f, kcal/mol:	-268.0
Dipole, Da:	3.33
IP(EA), eV:	-9.86(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3aS,6R,6aR)-4-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-oxo-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CCOCCC[C@H](C(F)(F)F)O

DOS

IR

Vibrations