Geometry & MOs

Info

ID:	189451
PubChem CID:	77858173
Reduced:	N3O5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	552.382618
ΔH_f, kcal/mol:	-175.73
Dipole, Da:	8.17
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[5-fluoro-2-[4-methyl-3-(oxan-2-yloxy)oct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NC(CC(=O)N)C(=O)O

DOS

IR

Vibrations