Geometry & MOs

Info

ID:	67832
PubChem CID:	46507260
Reduced:	ClSN4O4H23C24 (1)
Stoich.:	ABC4D4E23F24 (1)
Weight, g/mol:	482.142405
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	3.0
IP(EA), eV:	-9.23(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations