Geometry & MOs

Info

ID:	403824
PubChem CID:	135062061
Reduced:	SO2F6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	518.10639
ΔH_f, kcal/mol:	-344.22
Dipole, Da:	3.51
IP(EA), eV:	-10.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-bromophenyl)-2-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C[C@@]1(C2=CC(=CC=C2)S(F)(F)(F)(F)F)F

DOS

IR

Vibrations