Geometry & MOs

Info

ID:	63529
PubChem CID:	26758559
Reduced:	FNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	421.0325
ΔH_f, kcal/mol:	-192.1
Dipole, Da:	5.24
IP(EA), eV:	-8.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations