Geometry & MOs

Info

ID:	244871
PubChem CID:	99431524
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-236.66
Dipole, Da:	5.68
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxoquinazolin-3-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CCN2C=NC3=CC=CC=C3C2=O)(C(F)(F)F)O

DOS

IR

Vibrations