Geometry & MOs

Info

ID:	243280
PubChem CID:	99218165
Reduced:	ClSF2O2N3H18C22 (1)
Stoich.:	ABC2D2E3F18G22 (1)
Weight, g/mol:	465.03839
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	4.59
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations