Geometry & MOs

Info

ID:	144235
PubChem CID:	53335607
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	4.48
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CN=C2OC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations