Geometry & MOs

Info

ID:	122767
PubChem CID:	50820516
Reduced:	O2N7H17C22 (1)
Stoich.:	A2B7C17D22 (1)
Weight, g/mol:	479.037641
ΔH_f, kcal/mol:	104.09
Dipole, Da:	9.42
IP(EA), eV:	-8.75(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-2,8-dimethyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC3=NC4=CC=CC=C4N5C3=NN=N5

DOS

IR

Vibrations