Geometry & MOs

Info

ID:	228232
PubChem CID:	87563707
Reduced:	O7N8H32C37 (1)
Stoich.:	A7B8C32D37 (1)
Weight, g/mol:	442.9706
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	9.12
IP(EA), eV:	-8.73(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-carbamoylphenyl)-sulfanylcarbamoyl]-3-methylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC(=NC3=C2N=C(C=C3)C(=O)OC(=O)C4=NC5=C(C=C4)NC(=NC5=C6C=CC(=O)C=C6)N7CCOCC7)N8CCOCC8

DOS

IR

Vibrations