Geometry & MOs

Info

ID:	38244
PubChem CID:	8028432
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	402.961889
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	6.55
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC[C@H](C(=O)NC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations