Geometry & MOs

Info

ID:	64418
PubChem CID:	29200237
Reduced:	FN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	456.01547
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	4.01
IP(EA), eV:	-9.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2S)-1-(4-fluoroanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations