Geometry & MOs

Info

ID:	306851
PubChem CID:	125258783
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	3.68
IP(EA), eV:	-9.09(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,6aR)-N-methyl-5-[(3-methylphenyl)methyl]-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CC[C@@H]3[C@@H]2CCC(=O)N3CC4CCOCC4

DOS

IR

Vibrations