Geometry & MOs

Info

ID:	332189
PubChem CID:	127250475
Reduced:	SO4N5C17H21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	2.09
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(3-cyclopentylpropanoyl)morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations