Geometry & MOs

Info

ID:	63646
PubChem CID:	26758868
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	350.147786
ΔH_f, kcal/mol:	-249.12
Dipole, Da:	4.92
IP(EA), eV:	-8.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)/C=C/C1=CC(=C(C=C1)O)OC

DOS

IR

Vibrations