Geometry & MOs

Info

ID:	244052
PubChem CID:	99309529
Reduced:	N3O6C27H31 (1)
Stoich.:	A3B6C27D31 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-210.88
Dipole, Da:	5.73
IP(EA), eV:	-8.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)[C@@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations