Geometry & MOs

Info

ID:	310933
PubChem CID:	126588542
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	393.03981
ΔH_f, kcal/mol:	-112.45
Dipole, Da:	2.41
IP(EA), eV:	-8.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[5-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)CC)NC(=O)OC)C

DOS

IR

Vibrations