Geometry & MOs

Info

ID:	228222
PubChem CID:	87563690
Reduced:	BrNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	1.69
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)benzoyl]carbamothioylamino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NC(=C1O)Br)C2=CC=CC=C2

DOS

IR

Vibrations