Geometry & MOs

Info

ID:	36875
PubChem CID:	8014129
Reduced:	SN2O6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	369.05757
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	5.67
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NNC(=O)C2=CC=CO2

DOS

IR

Vibrations