Geometry & MOs

Info

ID:	79672
PubChem CID:	49829929
Reduced:	ClO2N3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-88.74
Dipole, Da:	2.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755037
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations