Geometry & MOs

Info

ID:	152284
PubChem CID:	56311181
Reduced:	SN4O5C22H28 (1)
Stoich.:	AB4C5D22E28 (1)
Weight, g/mol:	459.156099
ΔH_f, kcal/mol:	-162.85
Dipole, Da:	6.88
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations