Geometry & MOs

Info

ID:	37703
PubChem CID:	8023446
Reduced:	F3O3N4H11C17 (1)
Stoich.:	A3B3C4D11E17 (1)
Weight, g/mol:	385.098394
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	3.96
IP(EA), eV:	-9.36(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2-oxooxolan-3-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

DOS

IR

Vibrations