Geometry & MOs

Info

ID:	227941
PubChem CID:	87563098
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-209.91
Dipole, Da:	5.18
IP(EA), eV:	-8.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3,4-dioxo-2-(1-phenylpropylamino)cyclobuten-1-yl]amino]-3-methoxypyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)OS(=O)(=O)C)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations