Geometry & MOs

Info

ID:	152873
PubChem CID:	56311953
Reduced:	ClF3N3O3C22H23 (1)
Stoich.:	AB3C3D3E22F23 (1)
Weight, g/mol:	460.178041
ΔH_f, kcal/mol:	-251.12
Dipole, Da:	2.75
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-(3-sulfamoylanilino)propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations