Geometry & MOs

Info

ID:	299733
PubChem CID:	117688949
Reduced:	ON2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	7.68
Dipole, Da:	5.37
IP(EA), eV:	-9.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=C(C=C1)C#N)OC

DOS

IR

Vibrations