Geometry & MOs

Info

ID:	57987
PubChem CID:	24398139
Reduced:	OSCl2N2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	452.086449
ΔH_f, kcal/mol:	5.16
Dipole, Da:	3.1
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonylmethyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CC3(Cl)Cl)C

DOS

IR

Vibrations