Geometry & MOs

Info

ID:	194537
PubChem CID:	78551422
Reduced:	NF3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	402.050813
ΔH_f, kcal/mol:	-253.09
Dipole, Da:	1.47
IP(EA), eV:	-8.89(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-fluoro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations