Geometry & MOs

Info

ID:	333910
PubChem CID:	127252462
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	397.147156
ΔH_f, kcal/mol:	-155.67
Dipole, Da:	3.77
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,7aS)-2-acetyl-5-[(2-fluorophenyl)methylsulfonyl]-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@]12CCN(C[C@@H]1CN(C2)C)S(=O)(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations