Geometry & MOs

Info

ID:	47235
PubChem CID:	10530802
Reduced:	N3O6C31H45 (1)
Stoich.:	A3B6C31D45 (1)
Weight, g/mol:	554.999337
ΔH_f, kcal/mol:	-206.45
Dipole, Da:	1.82
IP(EA), eV:	-8.78(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-[5-[(2-chlorophenothiazin-10-yl)methyl]-1,3,4-thiadiazol-2-yl]-4-(2-nitrophenyl)azetidin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC/C(=N/OC(=O)C(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2OC)OC)OC)/N

DOS

IR

Vibrations