Geometry & MOs

Info

ID:	360949
PubChem CID:	127301780
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-145.99
Dipole, Da:	5.66
IP(EA), eV:	-8.57(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations