Geometry & MOs

Info

ID:	32871
PubChem CID:	7849027
Reduced:	FNS2O5H14C15 (1)
Stoich.:	ABC2D5E14F15 (1)
Weight, g/mol:	422.131171
ΔH_f, kcal/mol:	-184.84
Dipole, Da:	6.67
IP(EA), eV:	-9.73(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations