Geometry & MOs

Info

ID:	418490
PubChem CID:	135105212
Reduced:	FNO2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-261.36
Dipole, Da:	6.4
IP(EA), eV:	-9.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=C(C=C3)OC(F)F)C(=O)O

DOS

IR

Vibrations