Geometry & MOs

Info

ID:	137710
PubChem CID:	52247154
Reduced:	ClNS2O3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	391.180387
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	5.03
IP(EA), eV:	-9.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-1-thiophen-3-ylethyl]-diethylazanium

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)C(=O)NS(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations