Geometry & MOs

Info

ID:	77905
PubChem CID:	49669555
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	266.996617
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	5.7
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(C3=O)C4=CC=CC=C4F

DOS

IR

Vibrations