Geometry & MOs

Info

ID:	152394
PubChem CID:	56311311
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	461.198442
ΔH_f, kcal/mol:	-175.3
Dipole, Da:	1.81
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations