Geometry & MOs

Info

ID:	306846
PubChem CID:	125258771
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-74.8
Dipole, Da:	0.83
IP(EA), eV:	-9.03(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-1-[(3S)-oxolane-3-carbonyl]-4-(pyridin-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN2C[C@@H]3CCN(C(=O)[C@@H]3C2)CC(=O)N(C)C

DOS

IR

Vibrations