Geometry & MOs

Info

ID:	139135
PubChem CID:	52479418
Reduced:	NF2O6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-281.23
Dipole, Da:	1.79
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N([C@@H]1C2=CC(=C(C=C2)OC)OC(F)F)C3=CC=CC=C3OC)O

DOS

IR

Vibrations