Geometry & MOs

Info

ID:	195961
PubChem CID:	78754505
Reduced:	SN4O4C20H31 (1)
Stoich.:	AB4C4D20E31 (1)
Weight, g/mol:	393.213795
ΔH_f, kcal/mol:	-116.26
Dipole, Da:	9.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755014
Charge, e:	1

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl]-[[5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations