Geometry & MOs

Info

ID:	63551
PubChem CID:	26758604
Reduced:	BrSN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	391.098664
ΔH_f, kcal/mol:	-99.72
Dipole, Da:	9.27
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-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)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations