Geometry & MOs

Info

ID:	34916
PubChem CID:	7979084
Reduced:	BrClFN2O2H11C16 (1)
Stoich.:	ABCD2E2F11G16 (1)
Weight, g/mol:	397.06409
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	2.52
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-(difluoromethoxy)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)/C=C/C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations