Geometry & MOs

Info

ID:	426660
PubChem CID:	135153190
Reduced:	FSN3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	355.090997
ΔH_f, kcal/mol:	55.11
Dipole, Da:	3.65
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chloroquinazolin-2-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC=C2F)C(=N1)C3=NN=C4C=CSC4=C3)C

DOS

IR

Vibrations