Geometry & MOs

Info

ID:	158657
PubChem CID:	56464444
Reduced:	S2N3O6C17H25 (1)
Stoich.:	A2B3C6D17E25 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-235.61
Dipole, Da:	0.84
IP(EA), eV:	-9.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations