Geometry & MOs

Info

ID:	236287
PubChem CID:	92712224
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	497.271213
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	6.04
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-adamantyl)ethyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations