Geometry & MOs

Info

ID:	70420
PubChem CID:	48413325
Reduced:	N2S2O6C15H22 (1)
Stoich.:	A2B2C6D15E22 (1)
Weight, g/mol:	376.049585
ΔH_f, kcal/mol:	-204.85
Dipole, Da:	1.6
IP(EA), eV:	-9.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chloro-2-nitrophenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations