Geometry & MOs

Info

ID:	137666
PubChem CID:	52242676
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	407.10704
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	4.5
IP(EA), eV:	-9.14(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chlorothiophen-2-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl]methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations