Geometry & MOs

Info

ID:	61103
PubChem CID:	26705722
Reduced:	SN3O5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	464.117271
ΔH_f, kcal/mol:	-167.13
Dipole, Da:	12.81
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

DOS

IR

Vibrations