Geometry & MOs

Info

ID:	63553
PubChem CID:	26758608
Reduced:	BrSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	391.098664
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	9.57
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations