Geometry & MOs

Info

ID:	38185
PubChem CID:	8027901
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	402.961889
ΔH_f, kcal/mol:	-165.01
Dipole, Da:	2.04
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aS)-3-(2,5-dichlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O[C@@H](C)C(=O)NCCN4CCOCC4

DOS

IR

Vibrations