Geometry & MOs

Info

ID:	33274
PubChem CID:	7885775
Reduced:	FSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	4.12
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC(=C(C=C3)OC)F)C

DOS

IR

Vibrations