Geometry & MOs

Info

ID:	40391
PubChem CID:	8144035
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	375.149087
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	4.4
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C/C(=N\NC(=O)C2=C(C3=CC=CC=C3C=C2)O)/C)C

DOS

IR

Vibrations