Geometry & MOs

Info

ID:	164330
PubChem CID:	74382964
Reduced:	FO5N10C34H43 (1)
Stoich.:	AB5C10D34E43 (1)
Weight, g/mol:	437.202465
ΔH_f, kcal/mol:	-200.42
Dipole, Da:	2.81
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3-cyano-2-[4-(1-hydroxyhexyl)phenyl]cyclopent-2-en-1-yl]propyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(C(=O)N)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C3C=CCN3C(=O)C(CC4=CC=C(C=C4)F)N

DOS

IR

Vibrations