Geometry & MOs

Info

ID:	77696
PubChem CID:	49658652
Reduced:	SF2O2N4H20C25 (1)
Stoich.:	AB2C2D4E20F25 (1)
Weight, g/mol:	488.188212
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	4.43
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)methyl]-3-[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=CC=C4F)F

DOS

IR

Vibrations