Geometry & MOs

Info

ID:	186256
PubChem CID:	77413387
Reduced:	S2O5N7C18H21 (1)
Stoich.:	A2B5C7D18E21 (1)
Weight, g/mol:	338.24571
ΔH_f, kcal/mol:	-74.98
Dipole, Da:	4.36
IP(EA), eV:	-9.56(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopentyl-5-hydroxypent-3-enyl)-5-hydroxydec-3-enoic acid

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2(CN3C(C(C3=O)N(C4=CC=C(C=C4)O)C(=O)CN)SC2)C(=O)O

DOS

IR

Vibrations