Geometry & MOs

Info

ID:	170821
PubChem CID:	75284685
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	405.115855
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	3.58
IP(EA), eV:	-8.56(-0.66)
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-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3C(C=CS3)N(C2=O)CC(=O)N4CCOC5=C4C=C(C=C5)C

DOS

IR

Vibrations