Geometry & MOs

Info

ID:	311011
PubChem CID:	126588803
Reduced:	BrNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	349.114793
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	5.24
IP(EA), eV:	-8.48(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=O)OC)C3CC3)Br

DOS

IR

Vibrations