Geometry & MOs

Info

ID:	46851
PubChem CID:	10527880
Reduced:	N2S2O4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	458.360739
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	2.23
IP(EA), eV:	-9.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S,4S)-1-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(methoxymethoxy)non-7-ene-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2CC3C=CCN3S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations