Geometry & MOs

Info

ID:	229052
PubChem CID:	87566848
Reduced:	NO2S3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	406.177372
ΔH_f, kcal/mol:	-54.22
Dipole, Da:	4.48
IP(EA), eV:	-8.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(CCC(=O)O)(S)S

DOS

IR

Vibrations