Geometry & MOs

Info

ID:	152874
PubChem CID:	56311954
Reduced:	SN4O5C22H28 (1)
Stoich.:	AB4C5D22E28 (1)
Weight, g/mol:	449.192626
ΔH_f, kcal/mol:	-159.35
Dipole, Da:	6.48
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations