Geometry & MOs

Info

ID:	186796
PubChem CID:	77486234
Reduced:	FSO4N5C23H30 (1)
Stoich.:	ABC4D5E23F30 (1)
Weight, g/mol:	509.038749
ΔH_f, kcal/mol:	-155.1
Dipole, Da:	1.86
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-thiophen-3-yl-9-[[5-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1,3-thiazol-2-yl]sulfanyl]-10aH-imidazo[1,5-c]quinazolin-6-ium-5-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1F)C2=C(OC(=N2)C(C)(C)C)C3=NC(=NC=C3)NCC(C)O

DOS

IR

Vibrations