Geometry & MOs

Info

ID:	311039
PubChem CID:	126588913
Reduced:	ClNO2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	343.1606
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	4.67
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Cl)NC(=O)CC)CC

DOS

IR

Vibrations