Geometry & MOs

Info

ID:	310815
PubChem CID:	126587741
Reduced:	BrNSO2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	417.077712
ΔH_f, kcal/mol:	-31.48
Dipole, Da:	4.74
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-chloro-2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=CC=CC=C2NC(=S)OC)Br

DOS

IR

Vibrations