Geometry & MOs

Info

ID:	282239
PubChem CID:	103919750
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	274.076513
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	3.45
IP(EA), eV:	-9.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations