Geometry & MOs

Info

ID:	303328
PubChem CID:	124489522
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	292.044855
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	3.53
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)S(=O)(=O)N(C)[C@@H]2CCNC2

DOS

IR

Vibrations