Geometry & MOs

Info

ID:	310952
PubChem CID:	126588592
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	5.44
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C(=CC=C2)C3CC3)N(C(=S)OC)O)C

DOS

IR

Vibrations