Geometry & MOs

Info

ID:	368511
PubChem CID:	127329323
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-95.47
Dipole, Da:	8.0
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations