Geometry & MOs

Info

ID:	223413
PubChem CID:	85334999
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	6.22
IP(EA), eV:	-9.07(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC2=C(C3=NC=NC(=S)C3N2CC1)C(=O)N4CCOCC4

DOS

IR

Vibrations