Geometry & MOs

Info

ID:	151489
PubChem CID:	53812516
Reduced:	ClN2O5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	328.188589
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	2.21
IP(EA), eV:	-9.88(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-hydroxy-5-(3-hydroxypent-4-enyl)-1-(oxan-2-yloxy)cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1[N+](=O)[O-])C2=CC(=CC=C2)Cl)C(=O)OCCO)C

DOS

IR

Vibrations