Geometry & MOs

Info

ID:	378470
PubChem CID:	134224552
Reduced:	ClOSF3N5H19C20 (1)
Stoich.:	ABCD3E5F19G20 (1)
Weight, g/mol:	618.06631
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	7.64
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl]-2-(4-fluorophenyl)-6-iodo-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCC(C[C@@H]2OC3=CC(=C(C=C3Cl)SNC4=NC=NC=C4)F)(F)F

DOS

IR

Vibrations