Geometry & MOs

Info

ID:	159822
PubChem CID:	57288789
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	421.009548
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.42
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-chloro-2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-nitrosoethyl] acetate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)O)SC

DOS

IR

Vibrations