Geometry & MOs

Info

ID:	58463
PubChem CID:	24701903
Reduced:	BrO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	290.028062
ΔH_f, kcal/mol:	27.58
Dipole, Da:	1.41
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamothioylphenyl)-2-chlorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OC2=NC=C(C=C2)/C(=N/O)/N

DOS

IR

Vibrations