Geometry & MOs

Info

ID:	170839
PubChem CID:	75285303
Reduced:	FSCl2N3O3H14C20 (1)
Stoich.:	ABC2D3E3F14G20 (1)
Weight, g/mol:	386.153838
ΔH_f, kcal/mol:	-113.03
Dipole, Da:	3.02
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[3-(3,5-dimethylphenyl)-2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CSC2C1N(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations