Geometry & MOs

Info

ID:	287870
PubChem CID:	104296879
Reduced:	BrNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	365.98377
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	2.01
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C(C2=CC(=C(C=C2)Br)C)N

DOS

IR

Vibrations