Geometry & MOs

Info

ID:	63641
PubChem CID:	26758860
Reduced:	ClN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	10.11
IP(EA), eV:	-9.13(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations