Geometry & MOs

Info

ID:	307992
PubChem CID:	125311170
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	439.239244
ΔH_f, kcal/mol:	1.68
Dipole, Da:	4.47
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S,7E,9E,11E,14E)-6-[(2S)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

Drug info:

PubChemData

Smile

C1CC1CN2CC[C@]34[C@@H]5C6=NC7=C([C@H]6C[C@@]3([C@H]2CC8=C4C(=C(C=C8)O)O5)O)C=CC(=C7)N=C(N)N

DOS

IR

Vibrations