Geometry & MOs

Info

ID:	263188
PubChem CID:	103344310
Reduced:	O2S2N3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	377.96268
ΔH_f, kcal/mol:	-36.42
Dipole, Da:	2.7
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=NOC(=N2)C3CCC(O3)CN)C

DOS

IR

Vibrations