Geometry & MOs

Info

ID:	61678
PubChem CID:	26711759
Reduced:	FSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	427.138819
ΔH_f, kcal/mol:	-146.82
Dipole, Da:	3.66
IP(EA), eV:	-9.68(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations