Geometry & MOs

Info

ID:	33594
PubChem CID:	7887114
Reduced:	FSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	-203.39
Dipole, Da:	2.93
IP(EA), eV:	-9.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CC)C2=CC=C(C=C2)F

DOS

IR

Vibrations