Geometry & MOs

Info

ID:	415339
PubChem CID:	135088333
Reduced:	N2S3O5C13H22 (1)
Stoich.:	A2B3C5D13E22 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-197.88
Dipole, Da:	5.97
IP(EA), eV:	-9.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations