Geometry & MOs

Info

ID:	151107
PubChem CID:	53790805
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	382.251938
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	4.16
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R,2R)-5-fluoro-2-[(E)-4-hydroxy-4-(1-methylcyclobutyl)but-1-enyl]-3-methoxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S

DOS

IR

Vibrations