Geometry & MOs

Info

ID:	188882
PubChem CID:	77779046
Reduced:	SO5N8C27H40 (1)
Stoich.:	AB5C8D27E40 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	3.01
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-2-enoate

Drug info:

PubChemData

Smile

CCCCNC1=C2C(=NC(=N1)SCCC)N(N=N2)C3CCC(C3O)O.C1=CC=C(C=C1)CNC(=O)CCNC(=O)O

DOS

IR

Vibrations