Geometry & MOs

Info

ID:	36869
PubChem CID:	8014039
Reduced:	ClN2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	390.044106
ΔH_f, kcal/mol:	-213.22
Dipole, Da:	2.77
IP(EA), eV:	-10.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O

DOS

IR

Vibrations