Geometry & MOs

Info

ID:	177829
PubChem CID:	76238625
Reduced:	SO2F3N4C15H15 (1)
Stoich.:	AB2C3D4E15F15 (1)
Weight, g/mol:	455.216869
ΔH_f, kcal/mol:	-192.51
Dipole, Da:	9.83
IP(EA), eV:	-9.47(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-methylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)SCC2CC(=O)N(C(=O)N2C)C)C#N)C(F)(F)F

DOS

IR

Vibrations