Geometry & MOs

Info

ID:	311076
PubChem CID:	126589149
Reduced:	NF2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	381.121021
ΔH_f, kcal/mol:	-248.91
Dipole, Da:	3.18
IP(EA), eV:	-8.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations