Geometry & MOs

Info

ID:	417979
PubChem CID:	135103211
Reduced:	SO4N5C31H43 (1)
Stoich.:	AB4C5D31E43 (1)
Weight, g/mol:	358.169271
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(3-fluoropyridin-4-yl)-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations