Geometry & MOs

Info

ID:	150874
PubChem CID:	53790571
Reduced:	BrNPS2O5C15H19 (1)
Stoich.:	ABCD2E5F15G19 (1)
Weight, g/mol:	322.178024
ΔH_f, kcal/mol:	-31.53
Dipole, Da:	4.12
IP(EA), eV:	-8.6(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]propanedioate

Drug info:

PubChemData

Smile

CCCOOP(=O)(C(=C(C(=S)C=C)C(=S)C=CBr)C#N)OOCCC

DOS

IR

Vibrations