Geometry & MOs

Info

ID:	33584
PubChem CID:	7887081
Reduced:	ClFNO4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	368.076553
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	7.64
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)COC2=C(C=C3C(=CC(=O)OC3=C2)C)Cl

DOS

IR

Vibrations