Geometry & MOs

Info

ID:	38256
PubChem CID:	8028500
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	341.11757
ΔH_f, kcal/mol:	-198.16
Dipole, Da:	7.02
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-fluorophenyl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCCO

DOS

IR

Vibrations