Geometry & MOs

Info

ID:	139385
PubChem CID:	52521052
Reduced:	SCl2N2O3C14H14 (1)
Stoich.:	AB2C2D3E14F14 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	5.81
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-5-methyl-3-[2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)[S@](=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations