Geometry & MOs

Info

ID:	310925
PubChem CID:	126588503
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	381.121021
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	3.88
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(C(=O)SC)O)C)C

DOS

IR

Vibrations