Geometry & MOs

Info

ID:	192920
PubChem CID:	78325278
Reduced:	S2O4N5C15H23 (1)
Stoich.:	A2B4C5D15E23 (1)
Weight, g/mol:	334.151529
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	6.13
IP(EA), eV:	-9.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2NC(CC(=O)N2)N

DOS

IR

Vibrations