Geometry & MOs

Info

ID:	140332
PubChem CID:	52683342
Reduced:	SN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	442.099703
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768263
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH+](CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4CC4

DOS

IR

Vibrations