Geometry & MOs

Info

ID:	13839
PubChem CID:	399319
Reduced:	BrSN2O2H15C20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	426.00376
ΔH_f, kcal/mol:	15.65
Dipole, Da:	5.82
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-(phenylcarbamoyloxy)benzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C(=NC3=CC=C(C=C3)Br)S

DOS

IR

Vibrations