Geometry & MOs

Info

ID:	437356
PubChem CID:	135226165
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	310.214409
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	6.4
IP(EA), eV:	-9.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-8-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]oct-6-en-2-one

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=C(C=C1)C(=NN2)C(=O)N)OC(=O)CBr

DOS

IR

Vibrations