Geometry & MOs

Info

ID:	140239
PubChem CID:	52668675
Reduced:	O2N7H19C22 (1)
Stoich.:	A2B7C19D22 (1)
Weight, g/mol:	368.076155
ΔH_f, kcal/mol:	82.66
Dipole, Da:	6.75
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NC4=CC=CC(=C4)C5=NNC(=N5)C)C

DOS

IR

Vibrations