Geometry & MOs

Info

ID:	289713
PubChem CID:	104369307
Reduced:	ClSN2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	272.129156
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	2.94
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-ethyl-3-(4-methylhexan-2-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(NC(=O)N(C1=O)C2=CC3=C(C=C2)SC=C3)Cl

DOS

IR

Vibrations