Geometry & MOs

Info

ID:	202459
PubChem CID:	79674451
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	317.999654
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	4.57
IP(EA), eV:	-9.0(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dichlorobenzoyl)morpholine-2-carbothioamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCOC(C2)C#N)NC

DOS

IR

Vibrations