Geometry & MOs

Info

ID:	173505
PubChem CID:	75646993
Reduced:	S2N3O5H18C19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	471.079687
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	8.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942986
Charge, e:	-1

Chem-info

IUPAC name:

[4-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CS2)OC3=CC=CC=C3OC

DOS

IR

Vibrations