Geometry & MOs

Info

ID:	60205
PubChem CID:	26675901
Reduced:	SN2O7C25H26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-226.62
Dipole, Da:	8.59
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methylphenyl)sulfonyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations