Geometry & MOs

Info

ID:	79745
PubChem CID:	49830237
Reduced:	BrN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	437.175084
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	9.53
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylamino]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)CNCC2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations