Geometry & MOs

Info

ID:	228769
PubChem CID:	87565719
Reduced:	N2O2F7H25C27 (1)
Stoich.:	A2B2C7D25E27 (1)
Weight, g/mol:	292.979253
ΔH_f, kcal/mol:	-400.04
Dipole, Da:	8.91
IP(EA), eV:	-9.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(2,6-dichlorophenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)NC)N[C@@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)OC(F)(F)F

DOS

IR

Vibrations