Geometry & MOs

Info

ID:	405600
PubChem CID:	135074613
Reduced:	SO4C27H28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	426.10419
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	5.73
IP(EA), eV:	-8.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-9-[(4S,5S)-6-bromo-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-yl]-7-hydroxynon-2-en-8-ynoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(C#CCOC2=CC=C(C=C2)C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations