Geometry & MOs

Info

ID:	63639
PubChem CID:	26758850
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	6.54
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations