Geometry & MOs

Info

ID:	183012
PubChem CID:	76968675
Reduced:	OSN6C14H14 (1)
Stoich.:	ABC6D14E14 (1)
Weight, g/mol:	516.233488
ΔH_f, kcal/mol:	53.84
Dipole, Da:	4.67
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(2S,3R)-3-[(1S)-1-hydroxy-2-[3-(trifluoromethyl)phenoxy]ethyl]oxiran-2-yl]cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)SC1=NC(=C2C=NN(C2=N1)C3=CC=CC=C3)N

DOS

IR

Vibrations