Geometry & MOs

Info

ID:	318427
PubChem CID:	126651349
Reduced:	SN4O5C20H24 (1)
Stoich.:	AB4C5D20E24 (1)
Weight, g/mol:	502.188606
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	3.91
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[6-[4-(azetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)C)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations