Geometry & MOs

Info

ID:	189267
PubChem CID:	77836109
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	602.193416
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	5.34
IP(EA), eV:	-9.61(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;3-[4-hydroxy-3-methoxy-5-(morpholin-4-ylmethyl)phenyl]-1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1CNC(=O)NC1C2=CC=CC=C2

DOS

IR

Vibrations