Geometry & MOs

Info

ID:	63589
PubChem CID:	26758695
Reduced:	ClSN2O5H21C24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	498.101621
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	5.43
IP(EA), eV:	-8.69(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations