Geometry & MOs

Info

ID:	89348
PubChem CID:	49960608
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	544.077253
ΔH_f, kcal/mol:	-170.86
Dipole, Da:	6.53
IP(EA), eV:	-8.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

DOS

IR

Vibrations