Geometry & MOs

Info

ID:	179367
PubChem CID:	76472013
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	492.32396
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	4.26
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1,4-dioxaspiro[4.5]decan-8-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCCCCN(C1=CC=CC=C1S(=O)(=O)C)C(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations