Geometry & MOs

Info

ID:	299727
PubChem CID:	117688896
Reduced:	ON2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	7.31
Dipole, Da:	2.19
IP(EA), eV:	-10.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfonylphenyl)-N-[(4S)-4-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)CO)C#N

DOS

IR

Vibrations