Geometry & MOs

Info

ID:	151869
PubChem CID:	56310691
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	474.193691
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	1.99
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations