Geometry & MOs

Info

ID:	35535
PubChem CID:	7980002
Reduced:	BrFN2O2C20H20 (1)
Stoich.:	ABC2D2E20F20 (1)
Weight, g/mol:	374.146427
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	1.64
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations