Geometry & MOs

Info

ID:	141616
PubChem CID:	52903078
Reduced:	ClFO2N3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	473.120285
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	6.31
IP(EA), eV:	-8.88(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6Z)-6-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-phenyl-2H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-one

Drug info:

PubChemData

Smile

C1CN(CCN1[C@H]2C(=NCC3=CC(=CC=C3)F)C(=O)C2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations