Geometry & MOs

Info

ID:	83418
PubChem CID:	49857569
Reduced:	SO10H18C20 (1)
Stoich.:	AB10C18D20 (1)
Weight, g/mol:	258.07529
ΔH_f, kcal/mol:	-364.21
Dipole, Da:	9.47
IP(EA), eV:	-9.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-nitrophenyl)pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations