Geometry & MOs

Info

ID:	237136
PubChem CID:	92717603
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	33.75
Dipole, Da:	3.86
IP(EA), eV:	-8.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2CC(=O)N(C3=C2C(=NN3C4=NC(=CC(=N4)C)C)C)CC5=CC=CC=C5

DOS

IR

Vibrations