Geometry & MOs

Info

ID:	38616
PubChem CID:	8137255
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	6.86
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations