Geometry & MOs

Info

ID:	418660
PubChem CID:	135106511
Reduced:	SO4N6C25H32 (1)
Stoich.:	AB4C6D25E32 (1)
Weight, g/mol:	369.160994
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	5.8
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-ethoxyphenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=NC=CS4

DOS

IR

Vibrations