Geometry & MOs

Info

ID:	416281
PubChem CID:	135089293
Reduced:	N2O7C18H22 (1)
Stoich.:	A2B7C18D22 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-243.22
Dipole, Da:	10.36
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(2,5-dimethoxyphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations