Geometry & MOs

Info

ID:	414444
PubChem CID:	135087402
Reduced:	O4N5C24H37 (1)
Stoich.:	A4B5C24D37 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-184.87
Dipole, Da:	5.42
IP(EA), eV:	-9.17(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCNCCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations