Geometry & MOs

Info

ID:	70413
PubChem CID:	48413315
Reduced:	FSN2O6C14H17 (1)
Stoich.:	ABC2D6E14F17 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	-173.43
Dipole, Da:	4.25
IP(EA), eV:	-10.07(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl(1H-pyrazol-4-ylsulfonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC=CC(=C2[N+](=O)[O-])F

DOS

IR

Vibrations