Geometry & MOs

Info

ID:	55744
PubChem CID:	17396267
Reduced:	NF2O3H9C16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	357.060569
ΔH_f, kcal/mol:	-133.18
Dipole, Da:	4.73
IP(EA), eV:	-9.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations