Geometry & MOs

Info

ID:	33490
PubChem CID:	7886717
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	7.7
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

DOS

IR

Vibrations