Geometry & MOs

Info

ID:	244870
PubChem CID:	99431523
Reduced:	N2F3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-235.24
Dipole, Da:	10.57
IP(EA), eV:	-9.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations