Geometry & MOs

Info

ID:	60777
PubChem CID:	26702087
Reduced:	SN2F3O4H17C18 (1)
Stoich.:	AB2C3D4E17F18 (1)
Weight, g/mol:	496.087512
ΔH_f, kcal/mol:	-256.37
Dipole, Da:	9.36
IP(EA), eV:	-9.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylsulfamoyl)-4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)NC3CC3

DOS

IR

Vibrations