Geometry & MOs

Info

ID:	186281
PubChem CID:	77413514
Reduced:	BrNaSN2O4C10H12 (1)
Stoich.:	ABCD2E4F10G12 (1)
Weight, g/mol:	366.240624
ΔH_f, kcal/mol:	-211.16
Dipole, Da:	5.15
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)CBr)C(=O)[O-])C.[Na+]

DOS

IR

Vibrations