Geometry & MOs

Info

ID:	131083
PubChem CID:	51152938
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	5.85
IP(EA), eV:	-9.16(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(cyclopropanecarbonylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCCOC2=CC=C(C=C2)Br)C(=O)N

DOS

IR

Vibrations