Geometry & MOs

Info

ID:	233306
PubChem CID:	89649921
Reduced:	OSN3F4H15C16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	400.154683
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	4.46
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-[3-(2-hydroxyethyl)-2-oxo-1,4-dihydroquinazolin-7-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)CC(F)(F)F)NC(=NC)C2=CN=CC=C2)F

DOS

IR

Vibrations