Geometry & MOs

Info

ID:	139552
PubChem CID:	52555731
Reduced:	ClON2S2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	375.139448
ΔH_f, kcal/mol:	48.24
Dipole, Da:	4.68
IP(EA), eV:	-9.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CN(CC2=CC=CS2)C(=O)C3=CC(=NC=C3)Cl

DOS

IR

Vibrations