Geometry & MOs

Info

ID:	245599
PubChem CID:	99455519
Reduced:	ClO2F3N4C20H24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-199.0
Dipole, Da:	2.81
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations