Geometry & MOs

Info

ID:	337240
PubChem CID:	127256805
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	59.14
Dipole, Da:	3.9
IP(EA), eV:	-8.29(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;3-[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)methyl]isoindol-1-imine

Drug info:

PubChemData

Smile

CC1=C/C(=N/N=C/2\C(=[N+](C3=CC=CC=C32)C)C)/N(N1C)C4=CC=CC=C4.CC(=O)[O-]

DOS

IR

Vibrations