Geometry & MOs

Info

ID:	62227
PubChem CID:	26718446
Reduced:	SN4O4C17H18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	400.117155
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	6.52
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1,3-dioxo-N'-(pyridine-2-carbonyl)isoindole-5-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)NNC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

DOS

IR

Vibrations