Geometry & MOs

Info

ID:	64314
PubChem CID:	29199060
Reduced:	BrSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	455.162725
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	5.95
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbohydrazide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2Br)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations