Geometry & MOs

Info

ID:	54527
PubChem CID:	17388829
Reduced:	ClSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	553.091218
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	4.15
IP(EA), eV:	-8.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations