Geometry & MOs

Info

ID:	42690
PubChem CID:	8149870
Reduced:	ClFOSN3H15C20 (1)
Stoich.:	ABCDE3F15G20 (1)
Weight, g/mol:	389.120941
ΔH_f, kcal/mol:	-13.65
Dipole, Da:	2.27
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-1-(3-fluoro-4-methylanilino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2)F

DOS

IR

Vibrations