Geometry & MOs

Info

ID:	327691
PubChem CID:	126690756
Reduced:	SCl2N4O9C31H32 (1)
Stoich.:	AB2C4D9E31F32 (1)
Weight, g/mol:	154.029776
ΔH_f, kcal/mol:	-277.09
Dipole, Da:	18.15
IP(EA), eV:	-8.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-prop-2-enylpyrimidine

Drug info:

PubChemData

Smile

COCCOCCOCC(=O)NC[C@H]1C2N(C1=O)C3([C@@H](C3COC4=C(C=C(C=C4)Cl)C5=NC(=O)C6=C(N5)C=CC(=C6)Cl)CS2)C(=O)O

DOS

IR

Vibrations