Geometry & MOs

Info

ID:	418456
PubChem CID:	135104918
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	5.64
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations