Geometry & MOs

Info

ID:	303579
PubChem CID:	124489926
Reduced:	N2O7C13H18 (1)
Stoich.:	A2B7C13D18 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-219.64
Dipole, Da:	6.85
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R,2S,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])N[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations