Geometry & MOs

Info

ID:	63264
PubChem CID:	26750410
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-175.07
Dipole, Da:	7.27
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations