Geometry & MOs

Info

ID:	36949
PubChem CID:	8015240
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	7.3
IP(EA), eV:	-9.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

DOS

IR

Vibrations