Geometry & MOs

Info

ID:	196469
PubChem CID:	78835736
Reduced:	SO2N6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	32.96
Dipole, Da:	3.49
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[methyl-[(E)-3-phenylprop-2-enyl]amino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NC4=NC=C(S4)C(=O)N

DOS

IR

Vibrations