Geometry & MOs

Info

ID:	44130
PubChem CID:	10500967
Reduced:	ClO4C22H33 (1)
Stoich.:	AB4C22D33 (1)
Weight, g/mol:	397.1849
ΔH_f, kcal/mol:	-209.93
Dipole, Da:	2.57
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-5-(2,4-dimethoxypyrimidin-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]([C@@]([C@@H]1CCC[C@@H]2O)(C)CC3=C(C(=CC(=C3)OC)OC)Cl)CO

DOS

IR

Vibrations