Geometry & MOs

Info

ID:	32515
PubChem CID:	7840776
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	7.5
IP(EA), eV:	-8.57(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-cyclohexylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

DOS

IR

Vibrations