Geometry & MOs

Info

ID:	306922
PubChem CID:	125264343
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	4.5
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC[C@@H]1CC[C@@H]2[C@@H](O1)CCN2C(=O)CC3=CSC=C3

DOS

IR

Vibrations