Geometry & MOs

Info

ID:	236285
PubChem CID:	92712210
Reduced:	ClSO2N4H25C28 (1)
Stoich.:	ABC2D4E25F28 (1)
Weight, g/mol:	475.214092
ΔH_f, kcal/mol:	7.76
Dipole, Da:	5.14
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[1-(1-ethylindol-5-yl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C4=N[C@H](C(=O)N42)CC5=CC=CC=C5

DOS

IR

Vibrations