Geometry & MOs

Info

ID:	310982
PubChem CID:	126588682
Reduced:	NSO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	343.1606
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	3.73
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OCC)NC(=S)OCC)C

DOS

IR

Vibrations