Geometry & MOs

Info

ID:	38293
PubChem CID:	8029363
Reduced:	O3N5C16H22 (1)
Stoich.:	A3B5C16D22 (1)
Weight, g/mol:	414.011092
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754899
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

DOS

IR

Vibrations