Geometry & MOs

Info

ID:	34972
PubChem CID:	7979151
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	380.01718
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	6.49
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-bromo-4-fluorophenoxy)acetyl]-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations