Geometry & MOs

Info

ID:	13980
PubChem CID:	401280
Reduced:	ClSN4O7H19C25 (1)
Stoich.:	ABC4D7E19F25 (1)
Weight, g/mol:	554.066298
ΔH_f, kcal/mol:	-169.8
Dipole, Da:	9.28
IP(EA), eV:	-9.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CC=C5O

DOS

IR

Vibrations