Geometry & MOs

Info

ID:	350677
PubChem CID:	127278965
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	2.1
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)CN3C=CC=NC3=O)C

DOS

IR

Vibrations