Geometry & MOs

Info

ID:	70431
PubChem CID:	48413338
Reduced:	NSO6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-213.6
Dipole, Da:	2.71
IP(EA), eV:	-8.55(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations