Geometry & MOs

Info

ID:	171726
PubChem CID:	75417256
Reduced:	FOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	354.106294
ΔH_f, kcal/mol:	29.64
Dipole, Da:	6.02
IP(EA), eV:	-9.08(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)C3=NC(=CS3)C4=CC=CC=C4)F

DOS

IR

Vibrations