Geometry & MOs

Info

ID:	70422
PubChem CID:	48413327
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	356.104208
ΔH_f, kcal/mol:	-180.35
Dipole, Da:	4.84
IP(EA), eV:	-9.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

DOS

IR

Vibrations