Geometry & MOs

Info

ID:	140988
PubChem CID:	52795517
Reduced:	BrFOSN2C17H18 (1)
Stoich.:	ABCDE2F17G18 (1)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	2.66
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-[[4-(dimethylamino)-3-fluorophenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)CNC(=O)CSC2=CC=C(C=C2)Br)F

DOS

IR

Vibrations