Geometry & MOs

Info

ID:	229664
PubChem CID:	87568367
Reduced:	BrNPF2O4C20H23 (1)
Stoich.:	ABCD2E4F20G23 (1)
Weight, g/mol:	224.041962
ΔH_f, kcal/mol:	-304.8
Dipole, Da:	6.67
IP(EA), eV:	-9.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-cyano-3-fluorophenyl) N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2)Br)(F)F)O

DOS

IR

Vibrations