Geometry & MOs

Info

ID:	318850
PubChem CID:	126653538
Reduced:	SC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	828.298093
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	3.47
IP(EA), eV:	-8.89(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-6-[2-[3,5-dimethyl-2-(2,4,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

Drug info:

PubChemData

Smile

CC(C)C(C(C)(C)C)(S)S

DOS

IR

Vibrations