Geometry & MOs

Info

ID:	135643
PubChem CID:	51908564
Reduced:	ClSO3N4C22H27 (1)
Stoich.:	ABC3D4E22F27 (1)
Weight, g/mol:	441.120586
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	3.62
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCC(CC)N1C(=NN=C1S[C@@H](C)C(=O)NCC2=CC=CO2)COC3=CC=CC=C3Cl

DOS

IR

Vibrations