Geometry & MOs

Info

ID:	379171
PubChem CID:	134356441
Reduced:	ON4C11H12 (2)
Stoich.:	AB4C11D12 (2)
Weight, g/mol:	438.176642
ΔH_f, kcal/mol:	13.38
Dipole, Da:	7.48
IP(EA), eV:	-8.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]-3-(2-fluoroethoxy)benzamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)NC3=NN4C=CN=C(C4=N3)N5CC[C@H]6C5CC(=O)NC6)NC1=O)C

DOS

IR

Vibrations