Geometry & MOs

Info

ID:	310804
PubChem CID:	126587589
Reduced:	ClNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	4.07
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-methoxyphenyl]carbamothioate

Drug info:

PubChemData

Smile

CC(=C)CC1=C(C=C2C(=C1)CCC(=O)N2)Cl

DOS

IR

Vibrations