Geometry & MOs

Info

ID:	245480
PubChem CID:	99445182
Reduced:	SO3N4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	443.110376
ΔH_f, kcal/mol:	-20.37
Dipole, Da:	8.5
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=NC4=C3C(=NN4[C@H]5CCS(=O)(=O)C5)C)C6CC6

DOS

IR

Vibrations