Geometry & MOs

Info

ID:	335591
PubChem CID:	127254453
Reduced:	OS2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	37.8
Dipole, Da:	5.94
IP(EA), eV:	-8.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)C3=CC=CS3

DOS

IR

Vibrations