Geometry & MOs

Info

ID:	177835
PubChem CID:	76239891
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	439.101348
ΔH_f, kcal/mol:	-43.55
Dipole, Da:	3.17
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 3-phenylpyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCNC(=O)C=CC1=CC2=CC=CC=C2O1

DOS

IR

Vibrations