Geometry & MOs

Info

ID:	430325
PubChem CID:	135170389
Reduced:	N2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	399.056816
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	1.9
IP(EA), eV:	-8.68(2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6aR)-5-(3-chloro-2-fluorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

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CC[C@@]1([C@@H]2CCC([C@]1(C)CNC)N2C)C

DOS

IR

Vibrations