Geometry & MOs

Info

ID:	228173
PubChem CID:	87563595
Reduced:	BrClOSN3C18H21 (1)
Stoich.:	ABCDE3F18G21 (1)
Weight, g/mol:	405.05105
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	6.59
IP(EA), eV:	-8.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations