Geometry & MOs

Info

ID:	85669
PubChem CID:	49877926
Reduced:	BrSN3O6C30H34 (1)
Stoich.:	ABC3D6E30F34 (1)
Weight, g/mol:	350.03784
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	8.21
IP(EA), eV:	-8.55(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C(=C1)OC)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=C(C=C(C=C4)OC)OC)Br

DOS

IR

Vibrations