Geometry & MOs

Info

ID:	63644
PubChem CID:	26758865
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-200.88
Dipole, Da:	1.91
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations