Geometry & MOs

Info

ID:	187941
PubChem CID:	77645717
Reduced:	FON4C26H29 (1)
Stoich.:	ABC4D26E29 (1)
Weight, g/mol:	478.194458
ΔH_f, kcal/mol:	1.03
Dipole, Da:	2.27
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-[5-chloro-3-hydroxy-2-[4-(6-hydroxyhexyl)phenyl]cyclopentyl]propyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2C(CNN2)C3=CC(=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations