Geometry & MOs

Info

ID:	33608
PubChem CID:	7887174
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	393.078111
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	2.79
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)COC(=O)C2=CC3=CC=CC=C3S2)C(=O)C4=CC=CO4

DOS

IR

Vibrations