Geometry & MOs

Info

ID:	342155
PubChem CID:	127264868
Reduced:	NSO3F4C13H17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	313.052112
ΔH_f, kcal/mol:	-327.47
Dipole, Da:	6.11
IP(EA), eV:	-9.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[2-(furan-2-yl)-1,3-thiazol-5-yl]ethenyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H](C(F)(F)F)O)NS(=O)(=O)CC1=CC(=CC=C1)F

DOS

IR

Vibrations