Geometry & MOs

Info

ID:	123307
PubChem CID:	50841766
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	432.125612
ΔH_f, kcal/mol:	11.11
Dipole, Da:	1.32
IP(EA), eV:	-9.0(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN2C=NC3=C(C2=O)SN=C3C4=CC=CC=C4)C

DOS

IR

Vibrations