Geometry & MOs

Info

ID:	223788
PubChem CID:	85335569
Reduced:	SN4O5C29H36 (1)
Stoich.:	AB4C5D29E36 (1)
Weight, g/mol:	552.197731
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	6.87
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N,N-dimethylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC=NO3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations