Geometry & MOs

Info

ID:	142880
PubChem CID:	53106601
Reduced:	SN4O5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	440.278741
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	7.38
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2C)N(C(=O)CO3)CC4=NOC(=N4)CC

DOS

IR

Vibrations