Geometry & MOs

Info

ID:	60058
PubChem CID:	26675627
Reduced:	OSN2F4H12C20 (1)
Stoich.:	ABC2D4E12F20 (1)
Weight, g/mol:	463.172976
ΔH_f, kcal/mol:	-155.8
Dipole, Da:	5.41
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-di(propan-2-yl)phenyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations