Geometry & MOs

Info

ID:	33590
PubChem CID:	7887098
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	381.01726
ΔH_f, kcal/mol:	-152.13
Dipole, Da:	2.4
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations