Geometry & MOs

Info

ID:	60060
PubChem CID:	26675630
Reduced:	BrFSO2N4H12C21 (1)
Stoich.:	ABCD2E4F12G21 (1)
Weight, g/mol:	469.11077
ΔH_f, kcal/mol:	27.61
Dipole, Da:	1.57
IP(EA), eV:	-9.1(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC4=NN=C(O4)C5=CC=C(C=C5)Br)F

DOS

IR

Vibrations