Geometry & MOs

Info

ID:	182023
PubChem CID:	76829523
Reduced:	BrFO3N6C15H18 (1)
Stoich.:	ABC3D6E15F18 (1)
Weight, g/mol:	501.258734
ΔH_f, kcal/mol:	-7.49
Dipole, Da:	6.89
IP(EA), eV:	-8.89(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 13-acetamido-10-[3-(diaminomethylideneamino)propyl]-9,12-dioxo-2-oxa-8-azabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraene-7-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)NC2C(=C(NC3=CC(=C(C=C3)F)Br)N=O)NON2

DOS

IR

Vibrations