Geometry & MOs

Info

ID:	151180
PubChem CID:	53790880
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	422.260314
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	4.72
IP(EA), eV:	-8.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(octadec-9-enoylamino)-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@](CC1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(C(=O)OC)NC=O

DOS

IR

Vibrations