Geometry & MOs

Info

ID:	419361
PubChem CID:	135108037
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations