Geometry & MOs

Info

ID:	421844
PubChem CID:	135116712
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-204.49
Dipole, Da:	11.44
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations