Geometry & MOs

Info

ID:	159957
PubChem CID:	57304177
Reduced:	NO4C11H19 (2)
Stoich.:	AB4C11D19 (2)
Weight, g/mol:	305.062283
ΔH_f, kcal/mol:	-389.7
Dipole, Da:	6.58
IP(EA), eV:	-10.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-2-(3-oxoisoindol-1-ylidene)-N-phenylethanethioamide

Drug info:

PubChemData

Smile

C1CCCCCCN(CCCCN(CCCCC1)C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O

DOS

IR

Vibrations