Geometry & MOs

Info

ID:	170843
PubChem CID:	75285532
Reduced:	SF2N3O3H19C22 (1)
Stoich.:	AB2C3D3E19F22 (1)
Weight, g/mol:	442.089523
ΔH_f, kcal/mol:	-158.06
Dipole, Da:	1.53
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)-4aH-thieno[3,2-d]pyrimidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations