Geometry & MOs

Info

ID:	130589
PubChem CID:	51091398
Reduced:	S2N3O3H13C15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	4.07
IP(EA), eV:	-8.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoate

Drug info:

PubChemData

Smile

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=CS3

DOS

IR

Vibrations