Geometry & MOs

Info

ID:	229095
PubChem CID:	87566941
Reduced:	SN2F3O4C13H15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	406.177372
ΔH_f, kcal/mol:	-253.88
Dipole, Da:	4.44
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R,4S)-3-methoxy-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]cyclohexyl] methanesulfonate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CC=NO2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations