Geometry & MOs

Info

ID:	63026
PubChem CID:	26738105
Reduced:	ClSO2N6C24H25 (1)
Stoich.:	ABC2D6E24F25 (1)
Weight, g/mol:	420.089226
ΔH_f, kcal/mol:	21.77
Dipole, Da:	3.47
IP(EA), eV:	-8.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=NN(C1=S)CCC(=O)NNC(=O)C2=CNC3=CC=CC=C32)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations