Geometry & MOs

Info

ID:	170823
PubChem CID:	75284762
Reduced:	FSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-133.89
Dipole, Da:	2.49
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-fluorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CN1C2C=CSC2C(=O)N(C1=O)C3=CC=CC=C3F

DOS

IR

Vibrations