Geometry & MOs

Info

ID:	297408
PubChem CID:	117616957
Reduced:	ClO2N6C29H35 (1)
Stoich.:	AB2C6D29E35 (1)
Weight, g/mol:	165.061221
ΔH_f, kcal/mol:	4.49
Dipole, Da:	11.95
IP(EA), eV:	-9.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylideneamino)-4-methylbenzenethiol

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C2=NC3=CC(=NC(=C3N2CC4CCC(CC4)C)C5=CC(=CC=C5)Cl)C6=NC(=O)ON6)C

DOS

IR

Vibrations