Geometry & MOs

Info

ID:	63596
PubChem CID:	26758713
Reduced:	ClSN3O5H20C23 (1)
Stoich.:	ABC3D5E20F23 (1)
Weight, g/mol:	485.08122
ΔH_f, kcal/mol:	-124.72
Dipole, Da:	5.38
IP(EA), eV:	-8.81(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations