Geometry & MOs

Info

ID:	64207
PubChem CID:	29198429
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	454.086843
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	4.7
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenesulfonamido)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCCCC4

DOS

IR

Vibrations