Geometry & MOs

Info

ID:	70443
PubChem CID:	48413357
Reduced:	SN2O5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	356.104208
ΔH_f, kcal/mol:	-188.54
Dipole, Da:	9.27
IP(EA), eV:	-9.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(2-methyl-5-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations