Geometry & MOs

Info

ID:	130893
PubChem CID:	51123528
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	2.17
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1(CCCCC1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations