Geometry & MOs

Info

ID:	62102
PubChem CID:	26717587
Reduced:	NCl2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	406.136257
ΔH_f, kcal/mol:	-118.6
Dipole, Da:	4.47
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations