Geometry & MOs

Info

ID:	176481
PubChem CID:	76058161
Reduced:	N3O7C22H23 (1)
Stoich.:	A3B7C22D23 (1)
Weight, g/mol:	470.20317
ΔH_f, kcal/mol:	-243.51
Dipole, Da:	6.12
IP(EA), eV:	-9.81(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[5-bromo-3-hydroxy-2-(3-hydroxy-4,4,7-trimethylocta-1,6-dienyl)cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CC(NC1)C(=O)N(C2=CC=C(C=C2)C3=NC(=O)C(C=C3)C(=O)O)C(=O)C

DOS

IR

Vibrations