Geometry & MOs

Info

ID:	421166
PubChem CID:	135115495
Reduced:	O4N7C28H35 (1)
Stoich.:	A4B7C28D35 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-114.09
Dipole, Da:	7.18
IP(EA), eV:	-8.45(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=NNC3=C2CCC3)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations