Geometry & MOs

Info

ID:	13981
PubChem CID:	401281
Reduced:	ClSN4O7H21C26 (1)
Stoich.:	ABC4D7E21F26 (1)
Weight, g/mol:	568.081948
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	2.25
IP(EA), eV:	-9.13(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-chloro-2-(4-methoxyphenyl)-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=C(C=C5)OC

DOS

IR

Vibrations