Geometry & MOs

Info

ID:	194972
PubChem CID:	78615007
Reduced:	O2N3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	380.143273
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	14.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111736
Charge, e:	1

Chem-info

IUPAC name:

[5-(furan-2-yl)-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl]methyl-(2-methyl-1-phenylpropyl)azanium

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3C(=N2)C4=CC=CC=C4O3

DOS

IR

Vibrations