Geometry & MOs

Info

ID:	244678
PubChem CID:	99376392
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	5.17
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations