Geometry & MOs

Info

ID:	63531
PubChem CID:	26758565
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	421.0325
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	9.81
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-bromoanilino)-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=CC(=C2)C

DOS

IR

Vibrations