Geometry & MOs

Info

ID:	49413
PubChem CID:	11532990
Reduced:	SN2O4C26H38 (1)
Stoich.:	AB2C4D26E38 (1)
Weight, g/mol:	474.37091
ΔH_f, kcal/mol:	-178.59
Dipole, Da:	7.63
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-5-[(2E)-2-[3-[(E)-7-ethyl-7-hydroxynon-4-enoxy]spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N(C)CC1=CSC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCCC

DOS

IR

Vibrations