Geometry & MOs

Info

ID:	40629
PubChem CID:	8144445
Reduced:	F2N2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	375.149087
ΔH_f, kcal/mol:	16.68
Dipole, Da:	3.25
IP(EA), eV:	-8.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl]-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C1[C@H](N(N=C1C2=CC=CC=C2)C3=CC=CC=C3F)C4=CC=C(C=C4)F

DOS

IR

Vibrations