Geometry & MOs

Info

ID:	310893
PubChem CID:	126588384
Reduced:	NSF2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	397.132335
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OC)NC(=S)OC)C(F)F

DOS

IR

Vibrations