Geometry & MOs

Info

ID:	311022
PubChem CID:	126588834
Reduced:	FINSO2C17H17 (1)
Stoich.:	ABCDE2F17G17 (1)
Weight, g/mol:	397.01474
ΔH_f, kcal/mol:	-61.21
Dipole, Da:	4.28
IP(EA), eV:	-8.86(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-bromo-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)NC(=S)OC)F

DOS

IR

Vibrations