Geometry & MOs

Info

ID:	205327
PubChem CID:	80086773
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	365.98044
ΔH_f, kcal/mol:	-40.99
Dipole, Da:	1.59
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations