Geometry & MOs

Info

ID:	320109
PubChem CID:	126658282
Reduced:	SN2O8C17H18 (1)
Stoich.:	AB2C8D17E18 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-150.54
Dipole, Da:	8.89
IP(EA), eV:	-10.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2R,4S)-2-ethyl-4-methoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@H](CC[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations