Geometry & MOs

Info

ID:	177313
PubChem CID:	76166094
Reduced:	FSO3N5C23H30 (1)
Stoich.:	ABC3D5E23F30 (1)
Weight, g/mol:	503.245885
ΔH_f, kcal/mol:	-123.94
Dipole, Da:	6.03
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3,3-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(N=C1)N2CCC(CC2)N3CCC(C3=O)NC4=C(C=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations