Geometry & MOs

Info

ID:	54400
PubChem CID:	17141557
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	463.159949
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	4.58
IP(EA), eV:	-8.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yloxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

DOS

IR

Vibrations