Geometry & MOs

Info

ID:	85742
PubChem CID:	49878666
Reduced:	FSN4O5C16H21 (1)
Stoich.:	ABC4D5E16F21 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-233.37
Dipole, Da:	4.05
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations