Geometry & MOs

Info

ID:	152684
PubChem CID:	56311713
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	488.209341
ΔH_f, kcal/mol:	-120.63
Dipole, Da:	6.75
IP(EA), eV:	-8.42(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations