Geometry & MOs

Info

ID:	417907
PubChem CID:	135103042
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	3.65
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-2-benzyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)NC(=O)CSC)O

DOS

IR

Vibrations