Geometry & MOs

Info

ID:	434722
PubChem CID:	135175584
Reduced:	ClSF2N3O4C36H36 (1)
Stoich.:	ABC2D3E4F36G36 (1)
Weight, g/mol:	141.126598
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	4.34
IP(EA), eV:	-8.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-amine

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4C(C5)N)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations