Geometry & MOs

Info

ID:	333928
PubChem CID:	127252480
Reduced:	FN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-140.85
Dipole, Da:	1.59
IP(EA), eV:	-9.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3aR,7aR)-5-acetyl-1-phenyl-2-propan-2-ylsulfonyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]acetamide

Drug info:

PubChemData

Smile

C[C@]12CCN([C@H]1CCC(=O)N2CC3=CC=CC=C3F)C(=O)C4CCCC4

DOS

IR

Vibrations