Geometry & MOs

Info

ID:	149319
PubChem CID:	53788991
Reduced:	F2O3N4C20H22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	283.923234
ΔH_f, kcal/mol:	-159.8
Dipole, Da:	12.23
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,2-dichloro-2-chlorosulfanylacetate

Drug info:

PubChemData

Smile

C[C@]12C[C@H]([C@H]1CN(C2)C3=C(C(=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)N)F)N

DOS

IR

Vibrations