Geometry & MOs

Info

ID:	140270
PubChem CID:	52672289
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	5.59
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-(2-ethoxyanilino)-3-hydroxyprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)CNCC3=CC(=CC=C3)OCC(=O)N(C)C

DOS

IR

Vibrations