Geometry & MOs

Info

ID:	145200
PubChem CID:	53477305
Reduced:	FO3N8C24H27 (1)
Stoich.:	AB3C8D24E27 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	6.32
IP(EA), eV:	-8.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5R)-7-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CN=C(C=C4)N5CCC(CC5)OC)C

DOS

IR

Vibrations