Geometry & MOs

Info

ID:	70429
PubChem CID:	48413336
Reduced:	NSO6C17H23 (1)
Stoich.:	ABC6D17E23 (1)
Weight, g/mol:	356.104208
ΔH_f, kcal/mol:	-212.16
Dipole, Da:	7.24
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(4-methyl-3-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations