Geometry & MOs

Info

ID:	229316
PubChem CID:	87567399
Reduced:	NSO5C8H17 (1)
Stoich.:	ABC5D8E17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-220.44
Dipole, Da:	12.22
IP(EA), eV:	-10.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[NH+]1CCCC(=O)C1.COS(=O)(=O)[O-]

DOS

IR

Vibrations