Geometry & MOs

Info

ID:	313543
PubChem CID:	126615730
Reduced:	O4N10C43H48 (1)
Stoich.:	A4B10C43D48 (1)
Weight, g/mol:	272.099477
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	5.89
IP(EA), eV:	-8.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCC5=CC(=NC=C5)NC6=NC=C(N=C6)C(=O)NCCN7CCC[C@H](C7)O

DOS

IR

Vibrations