Geometry & MOs

Info

ID:	228584
PubChem CID:	87565351
Reduced:	ClN2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	375.277344
ΔH_f, kcal/mol:	6.67
Dipole, Da:	4.04
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)OC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)CC=O)Cl

DOS

IR

Vibrations