Geometry & MOs

Info

ID:	64004
PubChem CID:	26759667
Reduced:	SF3O3N4H21C23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-197.59
Dipole, Da:	9.19
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations