Geometry & MOs

Info

ID:	306847
PubChem CID:	125258774
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	342.136176
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	3.68
IP(EA), eV:	-9.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]2[C@@H]1N(CC2)C(=O)[C@H]3CCOC3)CC4=CC=NC=C4

DOS

IR

Vibrations