Geometry & MOs

Info

ID:	39030
PubChem CID:	8138393
Reduced:	ClO2F3N5C17H17 (1)
Stoich.:	AB2C3D5E17F17 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	-179.8
Dipole, Da:	6.78
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-ethyl-2-quinazolin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NNC(=O)C2=CC=CN2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations