Geometry & MOs

Info

ID:	41748
PubChem CID:	8147024
Reduced:	FON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	384.154587
ΔH_f, kcal/mol:	2.14
Dipole, Da:	6.75
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(2-fluorophenyl)methyl]-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2F)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations