Geometry & MOs

Info

ID:	311026
PubChem CID:	126588845
Reduced:	ClNSF2O2C19H20 (1)
Stoich.:	ABCD2E2F19G20 (1)
Weight, g/mol:	347.135528
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	3.49
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Cl)NC(=S)OC)C(F)F

DOS

IR

Vibrations