Geometry & MOs

Info

ID:	306973
PubChem CID:	125264480
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-176.78
Dipole, Da:	4.69
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CCOC[C@@H]1CC[C@H]2[C@H](O1)CCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations