Geometry & MOs

Info

ID:	302381
PubChem CID:	124361538
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	449.2162
ΔH_f, kcal/mol:	-226.73
Dipole, Da:	4.79
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(4-hydroxyphenyl)-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CC[C@@]4(CCCC[C@H]4C3)O

DOS

IR

Vibrations