Geometry & MOs

Info

ID:	35806
PubChem CID:	7980347
Reduced:	ClNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	2.62
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations