Geometry & MOs

Info

ID:	70158
PubChem CID:	47208199
Reduced:	SN3O3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	344.01941
ΔH_f, kcal/mol:	-62.37
Dipole, Da:	5.46
IP(EA), eV:	-8.64(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2-bromophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations