Geometry & MOs

Info

ID:	63168
PubChem CID:	26746569
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	362.070321
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	4.18
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC1=C(C(=CC=C1)Cl)C

DOS

IR

Vibrations