Geometry & MOs

Info

ID:	170845
PubChem CID:	75285886
Reduced:	FS2N3O3H18C20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	476.050551
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	1.95
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCN2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations