Geometry & MOs

Info

ID:	78163
PubChem CID:	49681750
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	3.43
IP(EA), eV:	-8.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations