Geometry & MOs

Info

ID:

423398

PubChem CID:

135119426

Reduced:

SF2O6N8C38H44 (1)

Stoich.:

AB2C6D8E38F44 (1)

Weight, g/mol:

373.200156

ΔHf, kcal/mol:

-263.04

Dipole, Da:

8.58

IP(EA), eV:

 -8.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2-ethoxyethoxy)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=C(C(=CC=C5)F)F)C

DOS

IR

Vibrations