Geometry & MOs

Info

ID:	60211
PubChem CID:	26675911
Reduced:	FSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-187.28
Dipole, Da:	1.68
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methylphenyl)sulfonyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations