Geometry & MOs

Info

ID:	227965
PubChem CID:	87563136
Reduced:	NO2F3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	148.030649
ΔH_f, kcal/mol:	-168.9
Dipole, Da:	4.66
IP(EA), eV:	-10.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethylcarbamothioyl carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(F)(F)F)OC2=NC=C(C=C2)C=O

DOS

IR

Vibrations