Geometry & MOs

Info

ID:	149674
PubChem CID:	53789348
Reduced:	BrN4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	484.134045
ΔH_f, kcal/mol:	63.52
Dipole, Da:	5.36
IP(EA), eV:	-9.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-[3-[(2,6-difluorophenyl)sulfonylamino]-2-oxo-1H-pyridin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CC2=CN=C(C=C2)Br

DOS

IR

Vibrations