Geometry & MOs

Info

ID:	304613
PubChem CID:	124756790
Reduced:	OSN2C14H24 (1)
Stoich.:	ABC2D14E24 (1)
Weight, g/mol:	482.185315
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	2.39
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCN(C)CC[C@H]2CCCCO2

DOS

IR

Vibrations