Geometry & MOs

Info

ID:	194807
PubChem CID:	78591356
Reduced:	FSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	5.33
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butan-2-ylcarbamoylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C(C)OC2=CC=C(C=C2)F)C

DOS

IR

Vibrations