Geometry & MOs

Info

ID:	162227
PubChem CID:	57393994
Reduced:	ClSN3O5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	319.06841
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	8.2
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)O

DOS

IR

Vibrations