Geometry & MOs

Info

ID:	61083
PubChem CID:	26705412
Reduced:	BrNS2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	460.090449
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	5.44
IP(EA), eV:	-8.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

DOS

IR

Vibrations