Geometry & MOs

Info

ID:	418673
PubChem CID:	135106534
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	5.58
Dipole, Da:	3.8
IP(EA), eV:	-8.9(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-[5-(phenylsulfanylmethyl)furan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)N2CCC(CC2)CCC(=O)NC3=CC=CC=C3)C

DOS

IR

Vibrations