Geometry & MOs

Info

ID:	60191
PubChem CID:	26675874
Reduced:	FSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-185.59
Dipole, Da:	8.26
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations