Geometry & MOs

Info

ID:	79617
PubChem CID:	49829733
Reduced:	N5O5C20H33 (1)
Stoich.:	A5B5C20D33 (1)
Weight, g/mol:	411.0952
ΔH_f, kcal/mol:	-208.77
Dipole, Da:	2.49
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(N-ethylanilino)-1-oxopropan-2-yl] 4-(difluoromethylsulfonyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)N2C=C(N=N2)CCC(=O)O

DOS

IR

Vibrations