Geometry & MOs

Info

ID:	62165
PubChem CID:	26717829
Reduced:	SN4O6H20C22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-102.73
Dipole, Da:	9.73
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-5-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations