Geometry & MOs

Info

ID:	236865
PubChem CID:	92715169
Reduced:	N2S2O5H18C20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	452.234493
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	5.5
IP(EA), eV:	-9.09(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC1=CSC(=N1)C2=CC(=CC=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations