Geometry & MOs

Info

ID:	289735
PubChem CID:	104371647
Reduced:	SCl2N2O2H10C11 (1)
Stoich.:	AB2C2D2E10F11 (1)
Weight, g/mol:	301.155705
ΔH_f, kcal/mol:	-66.98
Dipole, Da:	3.0
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-propyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N(C1=O)C(C)C2=CC=C(S2)Cl)Cl

DOS

IR

Vibrations