Geometry & MOs

Info

ID:	415517
PubChem CID:	135088513
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	9.13
IP(EA), eV:	-8.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(3-ethyl-4-methoxyphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations