Geometry & MOs

Info

ID:	237212
PubChem CID:	92717914
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	489.156971
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	6.22
IP(EA), eV:	-8.13(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCC1)NC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations