Geometry & MOs

Info

ID:	229430
PubChem CID:	87567633
Reduced:	O5C8H18 (1)
Stoich.:	A5B8C18 (1)
Weight, g/mol:	617.897373
ΔH_f, kcal/mol:	-255.06
Dipole, Da:	5.85
IP(EA), eV:	-10.24(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dichlorobenzoyl]amino]-3-(3,4-dichlorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(C)C(=O)O.CC(CO)O

DOS

IR

Vibrations