Geometry & MOs

Info

ID:	148392
PubChem CID:	53788054
Reduced:	NS2O5C9H9 (1)
Stoich.:	AB2C5D9E9 (1)
Weight, g/mol:	396.287574
ΔH_f, kcal/mol:	-147.57
Dipole, Da:	2.52
IP(EA), eV:	-9.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CN1C(C(=O)C2=CSC=C2S1(=O)=O)C(=O)OC

DOS

IR

Vibrations