Geometry & MOs

Info

ID:	151871
PubChem CID:	56310694
Reduced:	N5O6C22H25 (1)
Stoich.:	A5B6C22D25 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	6.69
IP(EA), eV:	-8.51(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[3-(dimethylsulfamoyl)phenyl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations