Geometry & MOs

Info

ID:	305811
PubChem CID:	124970164
Reduced:	SO2N6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	21.19
Dipole, Da:	4.13
IP(EA), eV:	-8.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=C(C=C2)[C@@H]3CCCCN3C(=O)C4=CC=CC(=C4)CN5C=CC=N5)N

DOS

IR

Vibrations