Geometry & MOs

Info

ID:	46160
PubChem CID:	10522600
Reduced:	S2N3O3H15C16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	362.158988
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	4.01
IP(EA), eV:	-8.71(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-tritiobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C3=CC=CC=C3)C(=O)O)N)C

DOS

IR

Vibrations