Geometry & MOs

Info

ID:	177685
PubChem CID:	76215372
Reduced:	N5O8C34H37 (1)
Stoich.:	A5B8C34D37 (1)
Weight, g/mol:	437.080732
ΔH_f, kcal/mol:	-306.16
Dipole, Da:	6.13
IP(EA), eV:	-9.07(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-carboxy-4-[3-(5-cinnamylidene-2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]phenolate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC(=O)NCC3=CC4=C(C=C3)N(C(=O)C(=C4O)C(=O)NCC(=O)O)C

DOS

IR

Vibrations