Geometry & MOs

Info

ID:	417999
PubChem CID:	135103297
Reduced:	SN4O4C26H26 (1)
Stoich.:	AB4C4D26E26 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	6.25
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]2CN(C[C@@H]2OCC3=CC(=CC=C3)C4=CC(=CC=C4)C(=O)NC1)C(=O)C5=CSC=N5

DOS

IR

Vibrations