Geometry & MOs

Info

ID:	62106
PubChem CID:	26717593
Reduced:	NOSCl2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	434.131171
ΔH_f, kcal/mol:	-0.6
Dipole, Da:	3.09
IP(EA), eV:	-9.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)/C=C/C2=CC=CS2

DOS

IR

Vibrations