Geometry & MOs

Info

ID:	147064
PubChem CID:	53786629
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	743.98249
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	3.58
IP(EA), eV:	-9.81(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[3-[(5-bromo-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoyl]amino]-4-[3-(4-chlorophenyl)sulfonylpropyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CC(C[C@H]1C)C#N

DOS

IR

Vibrations