Geometry & MOs

Info

ID:	63643
PubChem CID:	26758862
Reduced:	N2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-155.35
Dipole, Da:	7.41
IP(EA), eV:	-9.03(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations