Geometry & MOs

Info

ID:	213766
PubChem CID:	81064927
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-137.61
Dipole, Da:	3.75
IP(EA), eV:	-10.33(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

DOS

IR

Vibrations