Geometry & MOs

Info

ID:	64296
PubChem CID:	29198966
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	459.06161
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	5.73
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanoyl]-2-bromobenzohydrazide

Drug info:

PubChemData

Smile

C1COCCN1[C@@H](CNS(=O)(=O)CC2=CC=CC3=CC=CC=C32)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations