Geometry & MOs

Info

ID:	63034
PubChem CID:	26738124
Reduced:	N3O3H17C21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	407.076219
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	2.47
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C(=O)NNC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations