Geometry & MOs

Info

ID:	145271
PubChem CID:	53490600
Reduced:	SO2N4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	474.24131
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	7.65
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]piperazin-1-yl]-N-butylacetamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=NC=C(C(=N1)N)S(=O)(=O)C2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations