Geometry & MOs

Info

ID:	179817
PubChem CID:	76535581
Reduced:	ClNSO3C24H28 (1)
Stoich.:	ABCD3E24F28 (1)
Weight, g/mol:	311.00918
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	3.35
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)amino]thiourea

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Cl)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations