Geometry & MOs

Info

ID:	423101
PubChem CID:	135118945
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	4.45
IP(EA), eV:	-9.15(-0.74)
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]-6-methoxyhexan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N2CC[C@]3(CCCN[C@@H]3C2)CO

DOS

IR

Vibrations