Geometry & MOs

Info

ID:	379181
PubChem CID:	134356476
Reduced:	F2N2O3C19H26 (1)
Stoich.:	A2B2C3D19E26 (1)
Weight, g/mol:	683.314392
ΔH_f, kcal/mol:	-210.42
Dipole, Da:	3.0
IP(EA), eV:	-9.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-amino-1-[4-[[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]methylamino]methyl]-2,6-difluorophenoxy]-2-oxoheptan-3-yl]-3-azidobenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N[C@@H](CCCCN)C(=O)COC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations