Geometry & MOs

Info

ID:	54401
PubChem CID:	17141561
Reduced:	S2N3O4C22H29 (1)
Stoich.:	A2B3C4D22E29 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-143.39
Dipole, Da:	10.97
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations