Geometry & MOs

Info

ID:	415924
PubChem CID:	135088926
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-225.25
Dipole, Da:	4.44
IP(EA), eV:	-9.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)S(=O)(=O)C2=CC(=C(C=C2)C)C)C(=O)O

DOS

IR

Vibrations