Geometry & MOs

Info

ID:

13982

PubChem CID:

401282

Reduced:

ClSN5O6H24C27 (1)

Stoich.:

ABC5D6E24F27 (1)

Weight, g/mol:

581.113582

ΔHf, kcal/mol:

-122.94

Dipole, Da:

3.72

IP(EA), eV:

 -8.64(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[3-chloro-2-[4-(dimethylamino)phenyl]-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)N(C)C

DOS

IR

Vibrations