Geometry & MOs

Info

ID:	306849
PubChem CID:	125258776
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-133.66
Dipole, Da:	7.8
IP(EA), eV:	-9.25(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-4-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CC[C@H]3[C@H]2CCC(=O)N3CCOC

DOS

IR

Vibrations