Geometry & MOs

Info

ID:	64212
PubChem CID:	29198511
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	3.39
IP(EA), eV:	-8.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methoxyethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCS(=O)(=O)[N-]C[C@H](C2=CNC3=CC=CC=C32)[NH+]4CCCCC4

DOS

IR

Vibrations