Geometry & MOs

Info

ID:	58013
PubChem CID:	24398229
Reduced:	ClION2S2H8C14 (1)
Stoich.:	ABCD2E2F8G14 (1)
Weight, g/mol:	497.030447
ΔH_f, kcal/mol:	72.31
Dipole, Da:	5.37
IP(EA), eV:	-8.82(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl)I

DOS

IR

Vibrations