Geometry & MOs

Info

ID:	310900
PubChem CID:	126588398
Reduced:	BrClNSO2C18H19 (1)
Stoich.:	ABCDE2F18G19 (1)
Weight, g/mol:	363.105978
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	2.15
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-methylphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Br)NC(=S)OC)Cl

DOS

IR

Vibrations