Geometry & MOs

Info

ID:	148772
PubChem CID:	53788441
Reduced:	SN2O5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	5.44
IP(EA), eV:	-9.21(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-[[4-[(1-methyl-4-oxo-2,3-dihydroquinazolin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1[C@H]2N(C1=O)C(=C(S2)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

DOS

IR

Vibrations