Geometry & MOs

Info

ID:	148960
PubChem CID:	53788630
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	436.992316
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	2.27
IP(EA), eV:	-9.91(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[6-methyl-2-(trichloromethyl)pyrimidin-4-yl] N,N-diphenylcarbamothioate

Drug info:

PubChemData

Smile

CCCC=C[C@](C#C)(O)OC(C)(C)C

DOS

IR

Vibrations