Geometry & MOs

Info

ID:	170582
PubChem CID:	75256347
Reduced:	SF2N3O5H19C23 (1)
Stoich.:	AB2C3D5E19F23 (1)
Weight, g/mol:	457.127169
ΔH_f, kcal/mol:	-227.7
Dipole, Da:	4.66
IP(EA), eV:	-9.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-difluorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations