Geometry & MOs

Info

ID:	208987
PubChem CID:	80609331
Reduced:	ClSN4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	372.01433
ΔH_f, kcal/mol:	35.76
Dipole, Da:	10.46
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(thian-2-ylmethylcarbamoylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)CC3=NN=C(S3)Cl

DOS

IR

Vibrations