Geometry & MOs

Info

ID:	166751
PubChem CID:	74728657
Reduced:	FO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	427.1604
ΔH_f, kcal/mol:	-2.76
Dipole, Da:	16.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118828
Charge, e:	1

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=NC(=O)C3C=CC=CC3=N2)C(=O)C=CC4=CC(=CC=C4)F

DOS

IR

Vibrations