Geometry & MOs

Info

ID:	283096
PubChem CID:	103958121
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	269.072179
ΔH_f, kcal/mol:	-117.01
Dipole, Da:	5.7
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCC(C(=O)OC)O

DOS

IR

Vibrations