Geometry & MOs

Info

ID:	88762
PubChem CID:	49956582
Reduced:	SN3O6C18H19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	6.52
IP(EA), eV:	-9.67(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N'-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations