Geometry & MOs

Info

ID:	171884
PubChem CID:	75436743
Reduced:	NF3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-289.93
Dipole, Da:	5.42
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-anilinophenyl)-4-hydroxythiane-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C(=O)NC2CCC(CC2)C(F)(F)F)O

DOS

IR

Vibrations