Geometry & MOs

Info

ID:	310836
PubChem CID:	126588103
Reduced:	INSO2C20H24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	3.53
IP(EA), eV:	-8.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2,4-diethylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2I)NC(=S)OC)CC

DOS

IR

Vibrations