Geometry & MOs

Info

ID:	62626
PubChem CID:	26725308
Reduced:	ClFSN2O4H18C20 (1)
Stoich.:	ABCD2E4F18G20 (1)
Weight, g/mol:	465.03839
ΔH_f, kcal/mol:	-126.76
Dipole, Da:	7.09
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations