Geometry & MOs

Info

ID:	224448
PubChem CID:	85342954
Reduced:	CrNO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	478.202525
ΔH_f, kcal/mol:	77.23
Dipole, Da:	3.31
IP(EA), eV:	-6.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(benzenesulfonyl)ethyl]-2,2,6,6,8-pentamethyl-1,3-dioxaspiro[4.5]dec-7-en-7-yl]-1,3-dioxolane-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CCN(C1)C(=[Cr])C=CCC(C2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations