Geometry & MOs

Info

ID:	244926
PubChem CID:	99431604
Reduced:	SN2F3O4C20H23 (1)
Stoich.:	AB2C3D4E20F23 (1)
Weight, g/mol:	425.102097
ΔH_f, kcal/mol:	-291.73
Dipole, Da:	8.81
IP(EA), eV:	-9.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-oxo-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)S(=O)(=O)C

DOS

IR

Vibrations