Geometry & MOs

Info

ID:	33687
PubChem CID:	7887507
Reduced:	FNO5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-198.42
Dipole, Da:	6.43
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)F

DOS

IR

Vibrations