Geometry & MOs

Info

ID:	121255
PubChem CID:	50760391
Reduced:	SN3O4C30H35 (1)
Stoich.:	AB3C4D30E35 (1)
Weight, g/mol:	415.021597
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	7.41
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-(2,4-dimethylphenyl)-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)N4CCCC5=CC=CC=C54)C

DOS

IR

Vibrations