Geometry & MOs

Info

ID:	37417
PubChem CID:	8020851
Reduced:	N2O7C17H20 (1)
Stoich.:	A2B7C17D20 (1)
Weight, g/mol:	406.174001
ΔH_f, kcal/mol:	-203.37
Dipole, Da:	4.58
IP(EA), eV:	-9.59(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-[(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations