Geometry & MOs

Info

ID:	152751
PubChem CID:	56311812
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	4.46
IP(EA), eV:	-8.26(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-(dimethylsulfamoyl)furan-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=C3C(=CC=C2)OCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations