Geometry & MOs

Info

ID:	177204
PubChem CID:	76146864
Reduced:	SN2F3O3C16H17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	-235.37
Dipole, Da:	4.99
IP(EA), eV:	-9.29(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1COCCC1N(CC(F)(F)F)C(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations