Geometry & MOs

Info

ID:	326810
PubChem CID:	126688238
Reduced:	SN5O6C15H23 (1)
Stoich.:	AB5C6D15E23 (1)
Weight, g/mol:	353.94183
ΔH_f, kcal/mol:	-191.49
Dipole, Da:	5.85
IP(EA), eV:	-9.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-fluoro-5-nitrophenyl)-2-(2-chloroethoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)CC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]([C@@H](C(O3)COS(=O)(=O)N)O)OC

DOS

IR

Vibrations