Geometry & MOs

Info

ID:	125780
PubChem CID:	50937877
Reduced:	SN3O3C22H33 (1)
Stoich.:	AB3C3D22E33 (1)
Weight, g/mol:	369.03758
ΔH_f, kcal/mol:	-129.21
Dipole, Da:	3.69
IP(EA), eV:	-8.19(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-N-(2-bromo-4-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations