Geometry & MOs

Info

ID:	231296
PubChem CID:	87573416
Reduced:	S2N3O3F4H21C22 (1)
Stoich.:	A2B3C3D4E21F22 (1)
Weight, g/mol:	504.233683
ΔH_f, kcal/mol:	-220.73
Dipole, Da:	2.24
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(2-fluorophenyl)quinazolin-2-amine

Drug info:

PubChemData

Smile

CCCSC1=C(C=CC(=N1)C(F)(F)F)/C=C\C(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations