Geometry & MOs

Info

ID:	174724
PubChem CID:	75806499
Reduced:	N3O4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	400.084141
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928131
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,3-dimethyl-2,4-dioxo-4aH-quinazolin-1-ium-6-yl)sulfonylamino]-3H-indol-2-olate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations