Geometry & MOs

Info

ID:	310904
PubChem CID:	126588407
Reduced:	ClNSO2C20H24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	389.121628
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	2.79
IP(EA), eV:	-8.65(-0.28)
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-cyclopropylphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)NC(=S)OC)COC2=C(C=C(C(=C2)C)CC)Cl

DOS

IR

Vibrations