Geometry & MOs

Info

ID:	232950
PubChem CID:	87577801
Reduced:	ClSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	526.068938
ΔH_f, kcal/mol:	-18.06
Dipole, Da:	1.26
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-chloro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(6,8-dimethyl-7-oxido-5-oxo-7,8-dihydro-6H-2,7-naphthyridin-7-ium-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=C(C=CC2=N1)O[C@H](C(=O)NC(C)(C)C#C)SC)Cl

DOS

IR

Vibrations