Geometry & MOs

Info

ID:	33692
PubChem CID:	7887517
Reduced:	BrFNO4H13C16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	375.087533
ΔH_f, kcal/mol:	-164.07
Dipole, Da:	7.71
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Br)F

DOS

IR

Vibrations