Geometry & MOs

Info

ID:	89363
PubChem CID:	49961009
Reduced:	BrSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	2.8
IP(EA), eV:	-9.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[benzyl(cyclobutylmethyl)carbamothioyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C2=CC=C(S2)Br)O

DOS

IR

Vibrations