Geometry & MOs

Info

ID:	132830
PubChem CID:	51428103
Reduced:	N5H15C17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	374.090055
ΔH_f, kcal/mol:	132.71
Dipole, Da:	5.14
IP(EA), eV:	-9.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2CC(=NC3=NC=NN23)C4=CN=CC=C4

DOS

IR

Vibrations