Geometry & MOs

Info

ID:	153661
PubChem CID:	56312949
Reduced:	N2O3F4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	417.092932
ΔH_f, kcal/mol:	-286.2
Dipole, Da:	6.23
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)OCC(F)(F)F

DOS

IR

Vibrations