Geometry & MOs

Info

ID:	33609
PubChem CID:	7887177
Reduced:	OF2S2N3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	320.076553
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	4.61
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N[C@H](C)C3=C(C=C(C=C3)F)F)C

DOS

IR

Vibrations