Geometry & MOs

Info

ID:	318416
PubChem CID:	126651229
Reduced:	ClO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	4.65
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)(C)C#N)OCC2=NNC(=O)C=C2

DOS

IR

Vibrations