Geometry & MOs

Info

ID:	76108
PubChem CID:	48424443
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	408.04848
ΔH_f, kcal/mol:	-137.05
Dipole, Da:	1.88
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(3-bromo-5-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)C2=CC=CC=C2F

DOS

IR

Vibrations