Geometry & MOs

Info

ID:	70457
PubChem CID:	48413378
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	369.081698
ΔH_f, kcal/mol:	-197.34
Dipole, Da:	3.58
IP(EA), eV:	-9.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2,1,3-benzothiadiazol-4-ylsulfonyl(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

DOS

IR

Vibrations