Geometry & MOs

Info

ID:	13637
PubChem CID:	396363
Reduced:	BrF3O3N4C22H24 (1)
Stoich.:	AB3C3D4E22F24 (1)
Weight, g/mol:	528.09839
ΔH_f, kcal/mol:	-225.13
Dipole, Da:	2.44
IP(EA), eV:	-8.81(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide;hydrobromide

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)[C@H](CCCCN)N)F)N)F.Br

DOS

IR

Vibrations