Geometry & MOs

Info

ID:	41753
PubChem CID:	8147033
Reduced:	ClFON3H17C19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	406.138937
ΔH_f, kcal/mol:	-7.83
Dipole, Da:	5.93
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(2-fluorophenyl)methyl]-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2F)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations