Geometry & MOs

Info

ID:	48664
PubChem CID:	11110336
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	330.098249
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	3.8
IP(EA), eV:	-9.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(6-chloro-5-hydroxypyridin-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C=C(\C)/[C@H]1CC[C@]([C@H](C1)C(=C)C)(C)C=C

DOS

IR

Vibrations