Geometry & MOs

Info

ID:	366232
PubChem CID:	127319689
Reduced:	NS2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	6.69
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

DOS

IR

Vibrations