Geometry & MOs

Info

ID:	335584
PubChem CID:	127254446
Reduced:	ClSN3O3H12C16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	2.76
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations