Geometry & MOs

Info

ID:	36951
PubChem CID:	8015271
Reduced:	BrNO6C16H16 (1)
Stoich.:	ABC6D16E16 (1)
Weight, g/mol:	371.07322
ΔH_f, kcal/mol:	-197.68
Dipole, Da:	2.46
IP(EA), eV:	-9.53(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)OC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations