Geometry & MOs

Info

ID:	231358
PubChem CID:	87573547
Reduced:	ClN2O5C24H29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	2.44
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-imidazol-5-yl)-2-[[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)OCC3(CC3)N(C)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations