Geometry & MOs

Info

ID:	63977
PubChem CID:	26759600
Reduced:	BrSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	454.096535
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	4.84
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations