Geometry & MOs

Info

ID:	196556
PubChem CID:	78847444
Reduced:	ClSO2N5C20H24 (1)
Stoich.:	ABC2D5E20F24 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	36.52
Dipole, Da:	3.52
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C(C)(C)C)SC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations