Geometry & MOs

Info

ID:	192648
PubChem CID:	78296303
Reduced:	ClSO2N4H9C11 (1)
Stoich.:	ABC2D4E9F11 (1)
Weight, g/mol:	463.198145
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	3.97
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-1-ium-5-ylidene)-morpholin-4-ylmethyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C3C(C(=O)NC2=O)SC(=N3)N)Cl

DOS

IR

Vibrations