Geometry & MOs

Info

ID:	63603
PubChem CID:	26758734
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	4.14
IP(EA), eV:	-8.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations