Geometry & MOs

Info

ID:	223592
PubChem CID:	85335285
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	448.228345
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	5.63
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[2-[3-hydroxy-4-[3-(methoxymethyl)phenyl]pent-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(CC1=CNC2=C1C=CC=N2)NCC(COC3=CC=CC4=C3C5(CCCC5)C(=O)N4)O

DOS

IR

Vibrations