Geometry & MOs

Info

ID:	228172
PubChem CID:	87563592
Reduced:	BrClSO2N3C19H21 (1)
Stoich.:	ABCD2E3F19G21 (1)
Weight, g/mol:	441.02772
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	6.85
IP(EA), eV:	-8.73(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N)Br.Cl

DOS

IR

Vibrations