Geometry & MOs

Info

ID:	366198
PubChem CID:	127319613
Reduced:	BrNSO3C16H20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-112.74
Dipole, Da:	6.89
IP(EA), eV:	-9.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2(CCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations