Geometry & MOs

Info

ID:	129625
PubChem CID:	51073356
Reduced:	SN2O2F3H13C14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	341.101171
ΔH_f, kcal/mol:	-188.04
Dipole, Da:	3.09
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CSC=C1)C(=O)CN2C=C(C=CC2=O)C(F)(F)F

DOS

IR

Vibrations