Geometry & MOs

Info

ID:	224716
PubChem CID:	85347457
Reduced:	SO7C27H36 (1)
Stoich.:	AB7C27D36 (1)
Weight, g/mol:	638.288888
ΔH_f, kcal/mol:	-275.22
Dipole, Da:	6.39
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C(=O)CC(CCCC(=O)C(C)(C)CS(=O)(=O)C1=CC=CC=C1)O)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations