Geometry & MOs

Info

ID:	30749
PubChem CID:	841795
Reduced:	SCl2F2N2H8C13 (1)
Stoich.:	AB2C2D2E8F13 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-46.21
Dipole, Da:	4.78
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4R)-3-[[(1S)-1-phenylpropyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)F)Cl)Cl)F

DOS

IR

Vibrations