Geometry & MOs

Info

ID:	436157
PubChem CID:	135194183
Reduced:	SN3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	29.64
Dipole, Da:	4.41
IP(EA), eV:	-8.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxymethyl]-2-[(4-pyrimidin-5-ylphenyl)methyl]propanedioic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCC12CCN(CC2)C3=CN=C(C=N3)SC4=CC=CC=C4C(C)C

DOS

IR

Vibrations