Geometry & MOs

Info

ID:	310834
PubChem CID:	126588095
Reduced:	ClNSO2C20H22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	387.186815
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	6.77
IP(EA), eV:	-8.55(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethoxyphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=S)OC)C3CC3)Cl

DOS

IR

Vibrations